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4-(4-piperidyl)piperidine hydrochloride
4-(4-piperidyl)piperidine hydrochloride ID: AN-36657
CAS:78619-84-8
Supplier:AN PharmaTech Co Ltd

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SMILES:Cl.N1CCC(C2CCNCC2)CC1	3086095
FORMULA: C10H21ClN2
MASS: 204.7401
EXACT MASS: 204.1393264
INTERATOMIC DISTANCES

             Cl   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    4.1412     0.0000 
   N   3    4.4327     5.0000     0.0000 
   C   4    3.4856     2.0000     3.0000     0.0000 
   C   5    3.5566     3.0000     2.0000     1.0000     0.0000 
   C   6    2.7162     1.7320     3.6055     1.0000     1.7320     0.0000 
   C   7    4.5189     3.6055     1.7320     1.7320     1.0000     2.6457 
   C   8    2.8944     3.6055     1.7320     1.7320     1.0000     2.0000 
   C   9    4.4069     1.7320     3.6055     1.0000     1.7320     1.7320 
   C  10    4.8909     4.5826     1.0000     2.6457     1.7320     3.4641 
   C  11    3.4464     4.5826     1.0000     2.6457     1.7320     3.0000 
   C  12    4.6820     1.0000     4.5826     1.7320     2.6457     2.0000 
   C  13    3.1429     1.0000     4.5826     1.7320     2.6457     1.0000 
   H  14    2.9724     2.7431     2.3716     0.8743     0.6200     1.2347 
   H  15    2.9403     2.3716     2.7431     0.6200     0.8743     0.8743 
   H  16    2.1762     2.0295     3.8982     1.5968     2.1829     0.6200 
   H  17    2.4043     2.3451     3.1102     1.0813     1.4156     0.6200 
   H  18    5.1359     3.8982     2.0295     2.1829     1.5968     3.1512 
   H  19    4.6033     3.1102     2.3451     1.4156     1.0813     2.4059 
   H  20    2.4896     3.1102     2.3451     1.4156     1.0813     1.4332 
   H  21    2.4173     3.8982     2.0295     2.1829     1.5968     2.1944 
   H  22    4.5578     2.3451     3.1102     1.0813     1.4156     2.0295 
   H  23    5.0269     2.0295     3.8982     1.5968     2.1829     2.3451 
   H  24    5.3637     5.1957     1.0813     3.2657     2.3451     4.0761 
   H  25    5.3966     4.6339     1.5968     2.8113     2.0295     3.7220 
   H  26    2.9308     4.6339     1.5968     2.8113     2.0295     2.9561 
   H  27    3.7117     5.1957     1.0813     3.2657     2.3451     3.5889 
   H  28    5.2184     1.5968     4.6339     2.0295     2.8113     2.5068 
   H  29    5.1173     1.0813     5.1957     2.3451     3.2657     2.5068 
   H  30    3.3457     1.0813     5.1957     2.3451     3.2657     1.5967 
   H  31    2.5879     1.5968     4.6339     2.0295     2.8113     1.0812 
   H  32    4.5082     0.6200     5.6200     2.6200     3.6200     2.2901 
   H  33    4.8419     5.6200     0.6200     3.6200     2.6200     4.2100 
   H  34    1.0000     5.0102     5.2538     4.4836     4.5390     3.6877 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    2.0000     2.6457     0.0000 
   C  10    1.0000     2.0000     3.0000     0.0000 
   C  11    2.0000     1.0000     3.4641     1.7320     0.0000 
   C  12    3.0000     3.4641     1.0000     4.0000     4.3589     0.0000 
   C  13    3.4641     3.0000     2.0000     4.3589     4.0000     1.7320 
   H  14    1.6199     0.8743     1.8396     2.2900     1.8397     2.6008 
   H  15    1.8396     1.2347     1.6199     2.6008     2.2146     2.2900 
   H  16    3.1512     2.1944     2.3451     3.8917     3.1671     2.5068 
   H  17    2.4059     1.4332     2.0295     3.1022     2.4267     2.5068 
   H  18    0.6200     2.3451     2.1944     1.0812     2.5068     3.1671 
   H  19    0.6200     2.0295     1.4332     1.5967     2.5068     2.4267 
   H  20    2.0295     0.6200     2.4059     2.5068     1.5967     3.1022 
   H  21    2.3451     0.6200     3.1512     2.5068     1.0812     3.8917 
   H  22    1.4332     2.4059     0.6200     2.4267     3.1022     1.5967 
   H  23    2.1944     3.1512     0.6200     3.1671     3.8917     1.0812 
   H  24    1.5967     2.5068     3.5889     0.6200     2.0295     4.5875 
   H  25    1.0812     2.5068     2.9561     0.6200     2.3451     3.9399 
   H  26    2.5068     1.0812     3.7220     2.3451     0.6200     4.5429 
   H  27    2.5068     1.5967     4.0761     2.0295     0.6200     4.9779 
   H  28    2.9561     3.7220     1.0812     3.9399     4.5429     0.6200 
   H  29    3.5889     4.0761     1.5967     4.5875     4.9779     0.6200 
   H  30    4.0761     3.5889     2.5068     4.9779     4.5875     2.0295 
   H  31    3.7220     2.9561     2.5068     4.5429     3.9399     2.3451 
   H  32    4.2100     4.2100     2.2901     5.1927     5.1927     1.4158 
   H  33    2.2901     2.2901     4.2100     1.4158     1.4158     5.1927 
   H  34    5.4869     3.8209     5.3950     5.7971     4.2543     5.6219 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    2.2146     0.0000 
   H  15    1.8397     0.3800     0.0000 
   H  16    1.0812     1.6022     1.3135     0.0000 
   H  17    1.5967     0.8135     0.5870     0.7971     0.0000 
   H  18    3.8917     2.2128     2.3955     3.6918     2.9753     0.0000 
   H  19    3.1022     1.6309     1.7254     2.9753     2.3122     0.7971 
   H  20    2.4267     0.5870     0.8135     1.5763     0.8348     2.6463 
   H  21    3.1671     1.3135     1.6022     2.2154     1.5763     2.9532 
   H  22    2.5068     1.7254     1.6309     2.6463     2.1562     1.5763 
   H  23    2.5068     2.3955     2.2128     2.9532     2.6463     2.2154 
   H  24    4.9779     2.8867     3.2087     4.4883     3.6945     1.5278 
   H  25    4.5429     2.6367     2.8966     4.2097     3.4440     0.7846 
   H  26    3.9399     1.9444     2.2845     3.0000     2.3438     3.0556 
   H  27    4.5875     2.4530     2.8249     3.7118     3.0000     2.9499 
   H  28    2.3451     2.8966     2.6367     3.0556     2.9499     3.0000 
   H  29    2.0295     3.2087     2.8867     2.9499     3.0557     3.7118 
   H  30    0.6200     2.8249     2.4530     1.5278     2.1652     4.4883 
   H  31    0.6200     2.2845     1.9444     0.7846     1.5278     4.2097 
   H  32    1.4158     3.3533     2.9788     2.4959     2.9097     4.4781 
   H  33    5.1927     2.9788     3.3533     4.4781     3.6980     2.4959 
   H  34    4.0123     3.9642     3.9402     3.1202     3.4026     6.1061 

              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    0.8348     2.3122     2.9753     0.0000 
   H  23    1.5763     2.9753     3.6918     0.7971     0.0000 
   H  24    2.1652     3.0557     2.9499     3.0000     3.7118     0.0000 
   H  25    1.5278     2.9499     3.0556     2.3438     3.0000     0.7971 
   H  26    2.9499     1.5278     0.7846     3.4440     4.2097     2.6463 
   H  27    3.0557     2.1652     1.5278     3.6945     4.4883     2.1562 
   H  28    2.3438     3.4440     4.2097     1.5278     0.7846     4.4926 
   H  29    3.0000     3.6945     4.4883     2.1652     1.5278     5.1652 
   H  30    3.6945     3.0000     3.7118     3.0557     2.9499     5.5972 
   H  31    3.4440     2.3438     3.0000     2.9499     3.0556     5.1528 
   H  32    3.6980     3.6980     4.4781     2.9097     2.4959     5.8036 
   H  33    2.9097     2.9097     2.4959     3.6980     4.4781     1.2046 
   H  34    5.5947     3.4634     3.2929     5.5572     6.0147     6.2352 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    2.9532     0.0000 
   H  27    2.6463     0.7971     0.0000 
   H  28    3.7846     4.8005     5.1528     0.0000 
   H  29    4.4926     5.1528     5.5972     0.7971     0.0000 
   H  30    5.1528     4.4926     5.1652     2.6463     2.1562     0.0000 
   H  31    4.8005     3.7846     4.4926     2.9532     2.6463     0.7971 
   H  32    5.2253     5.2253     5.8036     1.9203     1.2046     1.2046 
   H  33    1.9203     1.9203     1.2046     5.2253     5.8036     5.8036 
   H  34    6.3269     3.6864     4.4242     6.1756     6.0246     4.1220 

              H  31      H  32      H  33      H  34
              --------------------------------------------
   H  31    0.0000 
   H  32    1.9203     0.0000 
   H  33    5.2253     6.2400     0.0000 
   H  34    3.4201     5.3176     5.6033     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1453996612
   N   2   -0.3159519542
   N   3   -0.3159519542
   C   4   -0.0358304692
   C   5   -0.0358304692
   C   6   -0.0373054084
   C   7   -0.0373054084
   C   8   -0.0373054084
   C   9   -0.0373054084
   C  10   -0.0038436091
   C  11   -0.0038436091
   C  12   -0.0038436091
   C  13   -0.0038436091
   H  14    0.0304243301
   H  15    0.0304243301
   H  16    0.0280236629
   H  17    0.0280236629
   H  18    0.0280236629
   H  19    0.0280236629
   H  20    0.0280236629
   H  21    0.0280236629
   H  22    0.0280236629
   H  23    0.0280236629
   H  24    0.0424065018
   H  25    0.0424065018
   H  26    0.0424065018
   H  27    0.0424065018
   H  28    0.0424065018
   H  29    0.0424065018
   H  30    0.0424065018
   H  31    0.0424065018
   H  32    0.1219354694
   H  33    0.1219354694
   H  34    0.1453996612


BOND ANGLES
  12    2   13   C3   N3   C3    119.999
  12    2   32   C3   N3   HC    120.001
  13    2   32   C3   N3   HC    120.001
  10    3   11   C3   N3   C3    119.999
  10    3   33   C3   N3   HC    120.001
  11    3   33   C3   N3   HC    120.001
   5    4    6   C3   C3   C3    120.001
   5    4    9   C3   C3   C3    120.001
   5    4   15   C3   C3   HC     59.998
   6    4    9   C3   C3   C3    119.999
   6    4   15   C3   C3   HC     60.002
   9    4   15   C3   C3   HC    179.974
   4    5    7   C3   C3   C3    120.001
   4    5    8   C3   C3   C3    120.001
   4    5   14   C3   C3   HC     59.998
   7    5    8   C3   C3   C3    119.999
   7    5   14   C3   C3   HC    179.974
   8    5   14   C3   C3   HC     60.002
   4    6   13   C3   C3   C3    120.001
   4    6   16   C3   C3   HC    160.002
   4    6   17   C3   C3   HC     80.004
  13    6   16   C3   C3   HC     79.997
  13    6   17   C3   C3   HC    159.996
  16    6   17   HC   C3   HC     79.999
   5    7   10   C3   C3   C3    120.001
   5    7   18   C3   C3   HC    160.002
   5    7   19   C3   C3   HC     80.004
  10    7   18   C3   C3   HC     79.997
  10    7   19   C3   C3   HC    159.996
  18    7   19   HC   C3   HC     79.999
   5    8   11   C3   C3   C3    120.001
   5    8   20   C3   C3   HC     80.004
   5    8   21   C3   C3   HC    160.002
  11    8   20   C3   C3   HC    159.996
  11    8   21   C3   C3   HC     79.997
  20    8   21   HC   C3   HC     79.999
   4    9   12   C3   C3   C3    120.001
   4    9   22   C3   C3   HC     80.004
   4    9   23   C3   C3   HC    160.002
  12    9   22   C3   C3   HC    159.996
  12    9   23   C3   C3   HC     79.997
  22    9   23   HC   C3   HC     79.999
   3   10    7   N3   C3   C3    120.001
   3   10   24   N3   C3   HC     80.004
   3   10   25   N3   C3   HC    160.002
   7   10   24   C3   C3   HC    159.996
   7   10   25   C3   C3   HC     79.997
  24   10   25   HC   C3   HC     79.999
   3   11    8   N3   C3   C3    120.001
   3   11   26   N3   C3   HC    160.002
   3   11   27   N3   C3   HC     80.004
   8   11   26   C3   C3   HC     79.997
   8   11   27   C3   C3   HC    159.996
  26   11   27   HC   C3   HC     79.999
   2   12    9   N3   C3   C3    120.001
   2   12   28   N3   C3   HC    160.002
   2   12   29   N3   C3   HC     80.004
   9   12   28   C3   C3   HC     79.997
   9   12   29   C3   C3   HC    159.996
  28   12   29   HC   C3   HC     79.999
   2   13    6   N3   C3   C3    120.001
   2   13   30   N3   C3   HC     80.004
   2   13   31   N3   C3   HC    160.002
   6   13   30   C3   C3   HC    159.996
   6   13   31   C3   C3   HC     79.997
  30   13   31   HC   C3   HC     79.999


TORSION ANGLES
  13    2   12    9      0.026
  13    2   12   28    179.974
  13    2   12   29    179.974
  32    2   12    9    179.974
  32    2   12   28      0.026
  32    2   12   29      0.026
  12    2   13    6      0.026
  12    2   13   30    179.974
  12    2   13   31    179.974
  32    2   13    6    179.974
  32    2   13   30      0.026
  32    2   13   31      0.026
  11    3   10    7      0.026
  11    3   10   24    179.974
  11    3   10   25    179.974
  33    3   10    7    179.974
  33    3   10   24      0.026
  33    3   10   25      0.026
  10    3   11    8      0.026
  10    3   11   26    179.974
  10    3   11   27    179.974
  33    3   11    8    179.974
  33    3   11   26      0.026
  33    3   11   27      0.026
   6    4    5    7    179.974
   6    4    5    8      0.026
   6    4    5   14      0.026
   9    4    5    7      0.026
   9    4    5    8    179.974
   9    4    5   14    179.974
  15    4    5    7    179.974
  15    4    5    8      0.026
  15    4    5   14      0.026
   5    4    6   13    179.974
   5    4    6   16      0.026
   5    4    6   17      0.026
   9    4    6   13      0.026
   9    4    6   16    179.974
   9    4    6   17    179.974
  15    4    6   13    179.974
  15    4    6   16      0.026
  15    4    6   17      0.026
   5    4    9   12    179.974
   5    4    9   22      0.026
   5    4    9   23      0.026
   6    4    9   12      0.026
   6    4    9   22    179.974
   6    4    9   23    179.974
  15    4    9   12    179.974
  15    4    9   22      0.026
  15    4    9   23      0.026
   4    5    7   10    179.974
   4    5    7   18      0.026
   4    5    7   19      0.026
   8    5    7   10      0.026
   8    5    7   18    179.974
   8    5    7   19    179.974
  14    5    7   10    179.974
  14    5    7   18      0.026
  14    5    7   19      0.026
   4    5    8   11    179.974
   4    5    8   20      0.026
   4    5    8   21      0.026
   7    5    8   11      0.026
   7    5    8   20    179.974
   7    5    8   21    179.974
  14    5    8   11    179.974
  14    5    8   20      0.026
  14    5    8   21      0.026
   4    6   13    2      0.026
   4    6   13   30    179.974
   4    6   13   31    179.974
  16    6   13    2    179.974
  16    6   13   30      0.026
  16    6   13   31      0.026
  17    6   13    2    179.974
  17    6   13   30      0.026
  17    6   13   31      0.026
   5    7   10    3      0.026
   5    7   10   24    179.974
   5    7   10   25    179.974
  18    7   10    3    179.974
  18    7   10   24      0.026
  18    7   10   25      0.026
  19    7   10    3    179.974
  19    7   10   24      0.026
  19    7   10   25      0.026
   5    8   11    3      0.026
   5    8   11   26    179.974
   5    8   11   27    179.974
  20    8   11    3    179.974
  20    8   11   26      0.026
  20    8   11   27      0.026
  21    8   11    3    179.974
  21    8   11   26      0.026
  21    8   11   27      0.026
   4    9   12    2      0.026
   4    9   12   28    179.974
   4    9   12   29    179.974
  22    9   12    2    179.974
  22    9   12   28      0.026
  22    9   12   29      0.026
  23    9   12    2    179.974
  23    9   12   28      0.026
  23    9   12   29      0.026