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1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride
1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride ID: API-26394
CAS:143254-82-4
Supplier:APIchem

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SMILES:ClC(=O)N1CCC(N2CCCCC2)CC1.Cl	ChemMol.com
FORMULA: C11H20Cl2N2O
MASS: 267.1953
EXACT MASS: 266.0952686
INTERATOMIC DISTANCES

             Cl   1     Cl   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    4.8495     0.0000 
   O   3    1.7320     6.2470     0.0000 
   N   4    4.5826     4.6512     4.5826     0.0000 
   N   5    1.7320     4.8020     1.7320     3.0000     0.0000 
   C   6    3.6055     4.4843     3.6055     1.0000     2.0000     0.0000 
   C   7    3.0000     3.6184     3.4641     1.7320     1.7320     1.0000 
   C   8    3.4641     5.3479     3.0000     1.7320     1.7320     1.0000 
   C   9    5.2915     5.6258     5.0000     1.0000     3.6055     1.7320 
   C  10    5.0000     4.0178     5.2915     1.0000     3.6055     1.7320 
   C  11    6.0000     4.5462     6.2450     1.7320     4.5826     2.6457 
   C  12    6.2450     6.0145     6.0000     1.7320     4.5826     2.6457 
   C  13    2.0000     3.8168     2.6457     2.6457     1.0000     1.7320 
   C  14    2.6457     5.4840     2.0000     2.6457     1.0000     1.7320 
   C  15    6.5574     5.5393     6.5574     2.0000     5.0000     3.0000 
   C  16    1.0000     5.2473     1.0000     4.0000     1.0000     3.0000 
   H  17    4.0601     5.0461     3.8242     0.8743     2.3716     0.6200 
   H  18    3.7220     5.9632     2.9561     2.1829     2.0295     1.5968 
   H  19    4.0761     5.5654     3.5889     1.4156     2.3451     1.0813 
   H  20    3.5889     3.4160     4.0761     1.4156     2.3451     1.0813 
   H  21    2.9561     3.0198     3.7220     2.1829     2.0295     1.5968 
   H  22    5.1441     3.5352     5.6193     1.5968     3.8982     2.1829 
   H  23    4.4225     3.5975     4.8263     1.0813     3.1102     1.4156 
   H  24    4.8263     5.6786     4.4225     1.0813     3.1102     1.4156 
   H  25    5.6193     6.2401     5.1441     1.5968     3.8982     2.1829 
   H  26    6.3409     6.5183     5.9239     2.0295     4.6339     2.8113 
   H  27    6.8637     6.4842     6.5860     2.3451     5.1957     3.2657 
   H  28    6.5860     4.7686     6.8637     2.3451     5.1957     3.2657 
   H  29    5.9239     4.0060     6.3409     2.0295     4.6339     2.8113 
   H  30    2.1944     3.2057     3.1512     2.8113     1.5968     2.0295 
   H  31    1.4332     3.8552     2.4059     3.2657     1.0813     2.3451 
   H  32    2.4059     5.8453     1.4332     3.2657     1.0813     2.3451 
   H  33    3.1512     6.0595     2.1944     2.8113     1.5968     2.0295 
   H  34    7.0887     6.1429     6.9906     2.5069     5.4895     3.4978 
   H  35    6.9906     5.5317     7.0887     2.5069     5.4895     3.4978 
   H  36    4.1589     1.0000     5.4166     3.6987     3.8866     3.4865 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    2.6457     2.0000     0.0000 
   C  10    2.0000     2.6457     1.7320     0.0000 
   C  11    3.0000     3.4641     2.0000     1.0000     0.0000 
   C  12    3.4641     3.0000     1.0000     2.0000     1.7320     0.0000 
   C  13    1.0000     2.0000     3.4641     3.0000     4.0000     4.3589 
   C  14    2.0000     1.0000     3.0000     3.4641     4.3589     4.0000 
   C  15    3.6055     3.6055     1.7320     1.7320     1.0000     1.0000 
   C  16    2.6457     2.6457     4.5826     4.5826     5.5678     5.5678 
   H  17    1.6199     0.8743     1.2347     1.8396     2.6008     2.2146 
   H  18    2.3451     0.6200     2.1944     3.1512     3.8917     3.1671 
   H  19    2.0295     0.6200     1.4332     2.4059     3.1022     2.4267 
   H  20    0.6200     2.0295     2.4059     1.4332     2.4267     3.1022 
   H  21    0.6200     2.3451     3.1512     2.1944     3.1671     3.8917 
   H  22    2.1944     3.1512     2.3451     0.6200     1.0812     2.5068 
   H  23    1.4332     2.4059     2.0295     0.6200     1.5967     2.5068 
   H  24    2.4059     1.4332     0.6200     2.0295     2.5068     1.5967 
   H  25    3.1512     2.1944     0.6200     2.3451     2.5068     1.0812 
   H  26    3.7220     2.9561     1.0812     2.5068     2.3451     0.6200 
   H  27    4.0761     3.5889     1.5967     2.5068     2.0295     0.6200 
   H  28    3.5889     4.0761     2.5068     1.5967     0.6200     2.0295 
   H  29    2.9561     3.7220     2.5068     1.0812     0.6200     2.3451 
   H  30    1.0812     2.5068     3.7220     2.9561     3.9399     4.5429 
   H  31    1.5967     2.5068     4.0761     3.5889     4.5875     4.9779 
   H  32    2.5068     1.5967     3.5889     4.0761     4.9779     4.5875 
   H  33    2.5068     1.0812     2.9561     3.7220     4.5429     3.9399 
   H  34    4.1713     4.0024     2.0296     2.3451     1.5967     1.0813 
   H  35    4.0024     4.1713     2.3451     2.0296     1.0813     1.5967 
   H  36    2.6214     4.3491     4.6866     3.1499     3.8009     5.1468 

              C  13      C  14      C  15      C  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.7320     0.0000 
   C  15    4.5826     4.5826     0.0000 
   C  16    1.7320     1.7320     6.0000     0.0000 
   H  17    2.2900     1.8397     2.7431     3.3533     0.0000 
   H  18    2.5068     1.0812     3.8982     2.8113     1.3135     0.0000 
   H  19    2.5068     1.5967     3.1102     3.2657     0.5870     0.7971 
   H  20    1.5967     2.5068     3.1102     3.2657     1.6309     2.6463 
   H  21    1.0812     2.5068     3.8982     2.8113     2.2128     2.9532 
   H  22    3.1671     3.8917     2.0295     4.8385     2.3955     3.6918 
   H  23    2.4267     3.1022     2.3451     4.0630     1.7254     2.9753 
   H  24    3.1022     2.4267     2.3451     4.0630     0.8135     1.5763 
   H  25    3.8917     3.1671     2.0295     4.8385     1.6022     2.2154 
   H  26    4.5429     3.9399     1.5968     5.5908     2.2845     3.0000 
   H  27    4.9779     4.5875     1.0813     6.1774     2.8249     3.7118 
   H  28    4.5875     4.9779     1.0813     6.1774     3.2087     4.4883 
   H  29    3.9399     4.5429     1.5968     5.5908     2.8966     4.2097 
   H  30    0.6200     2.3451     4.6339     2.1829     2.6367     3.0556 
   H  31    0.6200     2.0295     5.1957     1.4156     2.8867     2.9499 
   H  32    2.0295     0.6200     5.1957     1.4156     2.4530     1.5278 
   H  33    2.3451     0.6200     4.6339     2.1829     1.9444     0.7846 
   H  34    5.1332     4.9969     0.6200     6.4873     3.1680     4.2226 
   H  35    4.9969     5.1332     0.6200     6.4873     3.3003     4.4927 
   H  36    2.8891     4.5155     4.7677     4.4250     4.0541     4.9652 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.1562     0.0000 
   H  21    2.6463     0.7971     0.0000 
   H  22    2.9753     1.5763     2.2154     0.0000 
   H  23    2.3122     0.8348     1.5763     0.7971     0.0000 
   H  24    0.8348     2.3122     2.9753     2.6463     2.1562     0.0000 
   H  25    1.5763     2.9753     3.6918     2.9532     2.6463     0.7971 
   H  26    2.3438     3.4440     4.2097     3.0556     2.9499     1.5278 
   H  27    3.0000     3.6945     4.4883     2.9499     3.0557     2.1652 
   H  28    3.6945     3.0000     3.7118     1.5278     2.1652     3.0557 
   H  29    3.4440     2.3438     3.0000     0.7846     1.5278     2.9499 
   H  30    2.9499     1.5278     0.7846     3.0000     2.3438     3.4440 
   H  31    3.0557     2.1652     1.5278     3.7118     3.0000     3.6945 
   H  32    2.1652     3.0557     2.9499     4.4883     3.6945     3.0000 
   H  33    1.5278     2.9499     3.0556     4.2097     3.4440     2.3438 
   H  34    3.4598     3.6998     4.4927     2.6463     2.9532     2.6464 
   H  35    3.6998     3.4598     4.2226     2.1562     2.6464     2.9532 
   H  36    4.5678     2.4232     2.0296     2.7382     2.6730     4.7050 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.7846     0.0000 
   H  27    1.5278     0.7971     0.0000 
   H  28    2.9499     2.6463     2.1562     0.0000 
   H  29    3.0556     2.9532     2.6463     0.7971     0.0000 
   H  30    4.2097     4.8005     5.1528     4.4926     3.7846     0.0000 
   H  31    4.4883     5.1528     5.5972     5.1652     4.4926     0.7971 
   H  32    3.7118     4.4926     5.1652     5.5972     5.1528     2.6463 
   H  33    3.0000     3.7846     4.4926     5.1528     4.8005     2.9532 
   H  34    2.1562     1.5279     0.7848     1.5278     2.1652     5.2160 
   H  35    2.6463     2.1652     1.5278     0.7848     1.5279     4.9853 
   H  36    5.2945     5.6198     5.6511     4.1161     3.3238     2.2971 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    2.1562     0.0000 
   H  33    2.6463     0.7971     0.0000 
   H  34    5.7504     5.5990     4.9853     0.0000 
   H  35    5.5990     5.7504     5.2160     0.7970     0.0000 
   H  36    3.0109     4.9049     5.0804     5.3838     4.8419     0.0000 




ATOMIC CHARGES
  Cl   1   -0.0222247704
  Cl   2   -0.1453996612
   O   3   -0.2567361613
   N   4   -0.2992830178
   N   5   -0.2881960313
   C   6    0.0132559990
   C   7   -0.0213718730
   C   8   -0.0213718730
   C   9   -0.0008318269
   C  10   -0.0008318269
   C  11   -0.0401531451
   C  12   -0.0401531451
   C  13    0.0171752498
   C  14    0.0171752498
   C  15   -0.0507430235
   C  16    0.3087917075
   H  17    0.0463435128
   H  18    0.0295450934
   H  19    0.0295450934
   H  20    0.0295450934
   H  21    0.0295450934
   H  22    0.0426580795
   H  23    0.0426580795
   H  24    0.0426580795
   H  25    0.0426580795
   H  26    0.0277565115
   H  27    0.0277565115
   H  28    0.0277565115
   H  29    0.0277565115
   H  30    0.0465252668
   H  31    0.0465252668
   H  32    0.0465252668
   H  33    0.0465252668
   H  34    0.0266075852
   H  35    0.0266075852
   H  36    0.1453996612


BOND ANGLES
   6    4    9   C3   N3   C3    120.001
   6    4   10   C3   N3   C3    120.001
   9    4   10   C3   N3   C3    119.999
  13    5   14   C3  Nam   C3    119.999
  13    5   16   C3  Nam   C2    120.001
  14    5   16   C3  Nam   C2    120.001
   4    6    7   N3   C3   C3    120.001
   4    6    8   N3   C3   C3    120.001
   4    6   17   N3   C3   HC     59.998
   7    6    8   C3   C3   C3    119.999
   7    6   17   C3   C3   HC    179.974
   8    6   17   C3   C3   HC     60.002
   6    7   13   C3   C3   C3    120.001
   6    7   20   C3   C3   HC     80.004
   6    7   21   C3   C3   HC    160.002
  13    7   20   C3   C3   HC    159.996
  13    7   21   C3   C3   HC     79.997
  20    7   21   HC   C3   HC     79.999
   6    8   14   C3   C3   C3    120.001
   6    8   18   C3   C3   HC    160.002
   6    8   19   C3   C3   HC     80.004
  14    8   18   C3   C3   HC     79.997
  14    8   19   C3   C3   HC    159.996
  18    8   19   HC   C3   HC     79.999
   4    9   12   N3   C3   C3    120.001
   4    9   24   N3   C3   HC     80.004
   4    9   25   N3   C3   HC    160.002
  12    9   24   C3   C3   HC    159.996
  12    9   25   C3   C3   HC     79.997
  24    9   25   HC   C3   HC     79.999
   4   10   11   N3   C3   C3    120.001
   4   10   22   N3   C3   HC    160.002
   4   10   23   N3   C3   HC     80.004
  11   10   22   C3   C3   HC     79.997
  11   10   23   C3   C3   HC    159.996
  22   10   23   HC   C3   HC     79.999
  10   11   15   C3   C3   C3    120.001
  10   11   28   C3   C3   HC    159.996
  10   11   29   C3   C3   HC     79.997
  15   11   28   C3   C3   HC     80.004
  15   11   29   C3   C3   HC    160.002
  28   11   29   HC   C3   HC     79.999
   9   12   15   C3   C3   C3    120.001
   9   12   26   C3   C3   HC     79.997
   9   12   27   C3   C3   HC    159.996
  15   12   26   C3   C3   HC    160.002
  15   12   27   C3   C3   HC     80.004
  26   12   27   HC   C3   HC     79.999
   5   13    7  Nam   C3   C3    120.001
   5   13   30  Nam   C3   HC    160.002
   5   13   31  Nam   C3   HC     80.004
   7   13   30   C3   C3   HC     79.997
   7   13   31   C3   C3   HC    159.996
  30   13   31   HC   C3   HC     79.999
   5   14    8  Nam   C3   C3    120.001
   5   14   32  Nam   C3   HC     80.004
   5   14   33  Nam   C3   HC    160.002
   8   14   32   C3   C3   HC    159.996
   8   14   33   C3   C3   HC     79.997
  32   14   33   HC   C3   HC     79.999
  11   15   12   C3   C3   C3    119.999
  11   15   34   C3   C3   HC    159.996
  11   15   35   C3   C3   HC     80.006
  12   15   34   C3   C3   HC     80.006
  12   15   35   C3   C3   HC    159.996
  34   15   35   HC   C3   HC     79.990
   1   16    3   Cl   C2   O2    119.999
   1   16    5   Cl   C2  Nam    120.001
   3   16    5   O2   C2  Nam    120.001


TORSION ANGLES
   9    4    6    7    179.974
   9    4    6    8      0.026
   9    4    6   17      0.026
  10    4    6    7      0.026
  10    4    6    8    179.974
  10    4    6   17    179.974
   6    4    9   12    179.974
   6    4    9   24      0.026
   6    4    9   25      0.026
  10    4    9   12      0.026
  10    4    9   24    179.974
  10    4    9   25    179.974
   6    4   10   11    179.974
   6    4   10   22      0.026
   6    4   10   23      0.026
   9    4   10   11      0.026
   9    4   10   22    179.974
   9    4   10   23    179.974
  14    5   13    7      0.026
  14    5   13   30    179.974
  14    5   13   31    179.974
  16    5   13    7    179.974
  16    5   13   30      0.026
  16    5   13   31      0.026
  13    5   14    8      0.026
  13    5   14   32    179.974
  13    5   14   33    179.974
  16    5   14    8    179.974
  16    5   14   32      0.026
  16    5   14   33      0.026
  13    5   16    1      0.026
  13    5   16    3    179.974
  14    5   16    1    179.974
  14    5   16    3      0.026
   4    6    7   13    179.974
   4    6    7   20      0.026
   4    6    7   21      0.026
   8    6    7   13      0.026
   8    6    7   20    179.974
   8    6    7   21    179.974
  17    6    7   13    179.974
  17    6    7   20      0.026
  17    6    7   21      0.026
   4    6    8   14    179.974
   4    6    8   18      0.026
   4    6    8   19      0.026
   7    6    8   14      0.026
   7    6    8   18    179.974
   7    6    8   19    179.974
  17    6    8   14    179.974
  17    6    8   18      0.026
  17    6    8   19      0.026
   6    7   13    5      0.026
   6    7   13   30    179.974
   6    7   13   31    179.974
  20    7   13    5    179.974
  20    7   13   30      0.026
  20    7   13   31      0.026
  21    7   13    5    179.974
  21    7   13   30      0.026
  21    7   13   31      0.026
   6    8   14    5      0.026
   6    8   14   32    179.974
   6    8   14   33    179.974
  18    8   14    5    179.974
  18    8   14   32      0.026
  18    8   14   33      0.026
  19    8   14    5    179.974
  19    8   14   32      0.026
  19    8   14   33      0.026
   4    9   12   15      0.026
   4    9   12   26    179.974
   4    9   12   27    179.974
  24    9   12   15    179.974
  24    9   12   26      0.026
  24    9   12   27      0.026
  25    9   12   15    179.974
  25    9   12   26      0.026
  25    9   12   27      0.026
   4   10   11   15      0.026
   4   10   11   28    179.974
   4   10   11   29    179.974
  22   10   11   15    179.974
  22   10   11   28      0.026
  22   10   11   29      0.026
  23   10   11   15    179.974
  23   10   11   28      0.026
  23   10   11   29      0.026
  10   11   15   12      0.026
  10   11   15   34    179.974
  10   11   15   35    179.974
  28   11   15   12    179.974
  28   11   15   34      0.026
  28   11   15   35      0.026
  29   11   15   12    179.974
  29   11   15   34      0.026
  29   11   15   35      0.026
   9   12   15   11      0.026
   9   12   15   34    179.974
   9   12   15   35    179.974
  26   12   15   11    179.974
  26   12   15   34      0.026
  26   12   15   35      0.026
  27   12   15   11    179.974
  27   12   15   34      0.026
  27   12   15   35      0.026