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Phenyl-piperidin-4-yl-methanone 1HCl salt
Phenyl-piperidin-4-yl-methanone 1HCl salt ID: B204109
CAS:N/A
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=O)(c1ccccc1)C1CCNCC1	
FORMULA: C12H15NO
MASS: 189.2536
EXACT MASS: 189.1153641
INTERATOMIC DISTANCES

              C   1      N   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.3083     0.0000 
   O   3    0.5051     1.6088     0.0000 
   C   4    0.4565     1.6079     0.8252     0.0000 
   C   5    0.4375     0.8708     0.8089     0.7888     0.0000 
   C   6    1.1503     0.4352     1.3269     1.5391     0.7504     0.0000 
   C   7    1.1517     0.4388     1.5608     1.3417     0.7525     0.7542 
   C   8    0.7851     2.0315     0.9397     0.4333     1.1872     1.9286 
   C   9    0.7551     1.5427     1.2166     0.4331     0.8913     1.5940 
   C  10    0.7541     0.7540     0.8945     1.1807     0.4331     0.4333 
   C  11    0.7562     0.7561     1.2148     0.9084     0.4368     0.8698 
   C  12    1.1575     1.9278     1.5751     0.7500     1.3242     2.0156 
   C  13    1.1806     2.3414     1.3748     0.7540     1.5427     2.2931 
   C  14    1.3220     2.2931     1.6380     0.8662     1.5940     2.3266 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7750     0.0000 
   C   9    1.1859     0.7504     0.0000 
   C  10    0.8698     1.5391     1.3242     0.0000 
   C  11    0.4333     1.3417     0.7868     0.7542     0.0000 
   C  12    1.5371     0.8662     0.4331     1.7572     1.1780     0.0000 
   C  13    2.0307     0.4352     0.8708     1.9278     1.6069     0.7540 
   C  14    1.9269     0.7500     0.7504     2.0156     1.5371     0.4333 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.4352     0.0000 



ATOMIC CHARGES
   C   1    0.1727039961
   N   2   -0.2180260841
   O   3   -0.2913500480
   C   4    0.0346889341
   C   5    0.0647908859
   C   6    0.0891408219
   C   7    0.0891408219
   C   8    0.0028405592
   C   9    0.0028405592
   C  10    0.0265226725
   C  11    0.0265226725
   C  12    0.0000909647
   C  13    0.0000909647
   C  14    0.0000022792


BOND ANGLES
   3    1    4   O2   C2  Car    118.117
   3    1    5   O2   C2   C3    118.046
   4    1    5  Car   C2   C3    123.836
   6    2    7   C3   N3   C3    119.299
   1    4    8   C2  Car  Car    123.836
   1    4    9   C2  Car  Car    116.142
   8    4    9  Car  Car  Car    120.022
   1    5   10   C2   C3   C3    120.022
   1    5   11   C2   C3   C3    119.747
  10    5   11   C3   C3   C3    120.231
   2    6   10   N3   C3   C3    120.490
   2    7   11   N3   C3   C3    120.211
   4    8   13  Car  Car  Car    120.490
   4    9   12  Car  Car  Car    119.956
   5   10    6   C3   C3   C3    120.022
   5   11    7   C3   C3   C3    119.747
   9   12   14  Car  Car  Car    120.022
   8   13   14  Car  Car  Car    119.021
  12   14   13  Car  Car  Car    120.490


TORSION ANGLES
   7    2    6   10      0.026
   8    4    1    3      0.026
   8    4    1    5    179.974
   9    4    1    3    179.974
   9    4    1    5      0.026
  10    5    1    3      0.026
  10    5    1    4    179.974
  11    5    1    3    179.974
  11    5    1    4      0.026
   2    6   10    5      0.026
   2    7   11    5      0.026
  13    8    4    1    179.974
  13    8    4    9      0.026
  12    9    4    1    179.974
  12    9    4    8      0.026
   6   10    5    1    179.974
   6   10    5   11      0.026
   7   11    5    1    179.974
   7   11    5   10      0.026
  14   12    9    4      0.026
  14   13    8    4      0.026
  12   14   13    8      0.026
  11    7    2    6      0.026
  13   14   12    9      0.026