Sign In Join Free

Products Information

methyl piperidine-3-carboxylate
methyl piperidine-3-carboxylate ID: AN-30923
CAS:164323-85-7
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:O(C(=O)C1CCCNC1)C	351626
FORMULA: C7H13NO2
MASS: 143.1836
EXACT MASS: 143.0946287
INTERATOMIC DISTANCES

              O   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   N   3    3.4641     3.0000     0.0000 
   C   4    1.7320     1.7320     1.7321     0.0000 
   C   5    2.0000     2.6458     2.0000     1.0001     0.0000 
   C   6    3.0000     3.4641     1.7320     1.7321     1.0000     0.0000 
   C   7    2.6457     2.0000     1.0001     1.0000     1.7321     2.0000 
   C   8    3.6056     3.6055     1.0000     2.0000     1.7320     1.0000 
   C   9    1.0000     1.0000     2.6458     1.0000     1.7321     2.6458 
   C  10    1.0000     2.0000     4.3589     2.6457     3.0000     4.0000 
   H  11    1.2346     1.8396     2.2901     0.6200     0.8744     1.8397 
   H  12    2.1943     3.1512     2.5069     1.5968     0.6200     1.0813 
   H  13    1.4332     2.4060     2.5069     1.0813     0.6200     1.5967 
   H  14    3.5889     4.0761     2.0295     2.3452     1.5968     0.6200 
   H  15    2.9562     3.7221     2.3451     2.0296     1.0813     0.6200 
   H  16    2.4059     1.4332     1.5968     1.0812     2.0295     2.5068 
   H  17    3.1512     2.1943     1.0813     1.5967     2.3451     2.5068 
   H  18    4.1713     4.0024     1.0813     2.5069     2.3451     1.5967 
   H  19    4.0024     4.1713     1.5968     2.5069     2.0295     1.0812 
   H  20    4.0131     3.3533     0.6200     2.2901     2.6200     2.2901 
   H  21    1.1766     2.5558     4.6403     2.9083     3.0634     4.0477 
   H  22    1.6199     2.3716     4.9340     3.2379     3.6200     4.6200 
   H  23    1.1766     1.4956     4.1517     2.5121     3.0634     4.0478 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.7320     3.0000     0.0000 
   C  10    3.4641     4.5826     1.7320     0.0000 
   H  11    1.6200     2.3716     0.8743     2.2145     0.0000 
   H  12    2.3452     2.0296     2.1829     3.1671     1.3135     0.0000 
   H  13    2.0296     2.3451     1.4157     2.4267     0.5871     0.7970 
   H  14    2.5069     1.0812     3.2657     4.5875     2.4531     1.5279 
   H  15    2.5069     1.5967     2.8114     3.9400     1.9446     0.7848 
   H  16    0.6199     2.3451     1.4155     3.1021     1.6309     2.6463 
   H  17    0.6200     2.0295     2.1829     3.8917     2.2128     2.9532 
   H  18    2.0296     0.6200     3.4978     5.1332     2.9379     2.6464 
   H  19    2.3452     0.6200     3.4977     4.9969     2.7884     2.1562 
   H  20    1.4158     1.4158     3.1408     4.8708     2.8736     3.1205 
   H  21    3.8121     4.7390     2.1114     0.6200     2.3868     3.1076 
   H  22    4.0130     5.1927     2.2900     0.6200     2.8291     3.7773 
   H  23    3.1995     4.5067     1.5200     0.6200     2.2092     3.3424 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.1652     0.0000 
   H  15    1.5278     0.7971     0.0000 
   H  16    2.1562     3.0556     2.9499     0.0000 
   H  17    2.6464     2.9499     3.0557     0.7971     0.0000 
   H  18    2.9532     1.5278     2.1652     2.6463     2.1562     0.0000 
   H  19    2.6463     0.7846     1.5278     2.9532     2.6463     0.7971 
   H  20    3.1205     2.4959     2.9097     1.9203     1.2046     1.2046 
   H  21    2.4516     4.6007     3.8924     3.5239     4.2935     5.3199 
   H  22    3.0448     5.2069     4.5535     3.6062     4.4026     5.7361 
   H  23    2.5566     4.6576     4.0823     2.7563     3.5532     5.0166 

              H  19      H  20      H  21      H  22      H  23
              -------------------------------------------------------
   H  19    0.0000 
   H  20    1.9203     0.0000 
   H  21    5.0924     5.1887     0.0000 
   H  22    5.6144     5.4271     0.8768     0.0000 
   H  23    4.9773     4.6147     1.2399     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.4677031591
   O   2   -0.2505009604
   N   3   -0.3151883325
   C   4    0.0688947478
   C   5   -0.0377706290
   C   6   -0.0396477842
   C   7    0.0088231952
   C   8   -0.0040585623
   C   9    0.3111670521
   C  10    0.0816657128
   H  11    0.0425932123
   H  12    0.0273893798
   H  13    0.0273893798
   H  14    0.0277692888
   H  15    0.0277692888
   H  16    0.0431953631
   H  17    0.0431953631
   H  18    0.0423982198
   H  19    0.0423982198
   H  20    0.1219585645
   H  21    0.0660874800
   H  22    0.0660874800
   H  23    0.0660874800


BOND ANGLES
   9    1   10   C2   O3   C3    120.001
   7    3    8   C3   N3   C3    120.001
   7    3   20   C3   N3   HC    119.998
   8    3   20   C3   N3   HC    120.001
   5    4    7   C3   C3   C3    119.998
   5    4    9   C3   C3   C2    120.001
   5    4   11   C3   C3   HC     60.002
   7    4    9   C3   C3   C2    120.001
   7    4   11   C3   C3   HC    179.974
   9    4   11   C2   C3   HC     59.999
   4    5    6   C3   C3   C3    120.001
   4    5   12   C3   C3   HC    159.993
   4    5   13   C3   C3   HC     80.003
   6    5   12   C3   C3   HC     80.006
   6    5   13   C3   C3   HC    159.996
  12    5   13   HC   C3   HC     79.990
   5    6    8   C3   C3   C3    120.001
   5    6   14   C3   C3   HC    160.002
   5    6   15   C3   C3   HC     80.004
   8    6   14   C3   C3   HC     79.997
   8    6   15   C3   C3   HC    159.996
  14    6   15   HC   C3   HC     79.999
   3    7    4   N3   C3   C3    119.998
   3    7   16   N3   C3   HC    160.007
   3    7   17   N3   C3   HC     79.998
   4    7   16   C3   C3   HC     79.995
   4    7   17   C3   C3   HC    160.004
  16    7   17   HC   C3   HC     80.009
   3    8    6   N3   C3   C3    120.001
   3    8   18   N3   C3   HC     80.004
   3    8   19   N3   C3   HC    160.002
   6    8   18   C3   C3   HC    159.996
   6    8   19   C3   C3   HC     79.997
  18    8   19   HC   C3   HC     79.999
   1    9    2   O3   C2   O2    120.001
   1    9    4   O3   C2   C3    120.001
   2    9    4   O2   C2   C3    119.999
   1   10   21   O3   C3   HC     89.999
   1   10   22   O3   C3   HC    179.974
   1   10   23   O3   C3   HC     90.001
  21   10   22   HC   C3   HC     90.000
  21   10   23   HC   C3   HC    179.974
  22   10   23   HC   C3   HC     90.000


TORSION ANGLES
  10    1    9    2      0.026
  10    1    9    4    179.974
   9    1   10   21    179.974
   9    1   10   22    179.974
   9    1   10   23      0.026
   8    3    7    4      0.026
   8    3    7   16    179.974
   8    3    7   17    179.974
  20    3    7    4    179.974
  20    3    7   16      0.026
  20    3    7   17      0.026
   7    3    8    6      0.026
   7    3    8   18    179.974
   7    3    8   19    179.974
  20    3    8    6    179.974
  20    3    8   18      0.026
  20    3    8   19      0.026
   7    4    5    6      0.026
   7    4    5   12    179.974
   7    4    5   13    179.974
   9    4    5    6    179.974
   9    4    5   12      0.026
   9    4    5   13      0.026
  11    4    5    6    179.974
  11    4    5   12      0.026
  11    4    5   13      0.026
   5    4    7    3      0.026
   5    4    7   16    179.974
   5    4    7   17    179.974
   9    4    7    3    179.974
   9    4    7   16      0.026
   9    4    7   17      0.026
  11    4    7    3    180.000
  11    4    7   16    180.000
  11    4    7   17    180.000
   5    4    9    1      0.026
   5    4    9    2    179.974
   7    4    9    1    179.974
   7    4    9    2      0.026
  11    4    9    1      0.026
  11    4    9    2    179.974
   4    5    6    8      0.026
   4    5    6   14    179.974
   4    5    6   15    179.974
  12    5    6    8    179.974
  12    5    6   14      0.026
  12    5    6   15      0.026
  13    5    6    8    179.974
  13    5    6   14      0.026
  13    5    6   15      0.026
   5    6    8    3      0.026
   5    6    8   18    179.974
   5    6    8   19    179.974
  14    6    8    3    179.974
  14    6    8   18      0.026
  14    6    8   19      0.026
  15    6    8    3    179.974
  15    6    8   18      0.026
  15    6    8   19      0.026


CHIRAL ATOMS
  15    6    8   19      0.026