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(3,4-Dichloro-phenyl)-piperidin-4-yl-methanone 1HCl salt
(3,4-Dichloro-phenyl)-piperidin-4-yl-methanone 1HCl salt ID: B204113
CAS:64638-17-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(C(=O)C2CCNCC2)cc(c(cc1)Cl)Cl	
FORMULA: C12H13Cl2NO
MASS: 258.1437
EXACT MASS: 257.0374194
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.4352     0.0000 
   C   3    0.4333     0.7540     0.0000 
   C   4    0.7525     1.1519     0.4367     0.0000 
   C   5    0.8697     1.3049     0.7541     0.4331     0.0000 
   N   6    1.5704     1.3042     1.9939     2.3020     2.2605     0.0000 
   C   7    0.4387     0.7541     0.7560     0.8708     0.7540     1.5065 
   O   8    0.7900     0.5004     0.8704     1.3062     1.5856     1.6402 
   C   9    0.7541     1.1505     0.8697     0.7504     0.4333     1.8975 
   C  10    0.7541     0.4334     1.1503     1.5065     1.5676     0.8708 
  Cl  11    1.1517     1.5101     0.7561     0.4375     0.7541     2.7192 
  Cl  12    1.3028     1.7380     1.1497     0.7500     0.4331     2.6444 
   C  13    1.3083     1.1503     1.7416     1.9947     1.8979     0.4331 
   C  14    1.5101     1.1517     1.8979     2.2626     2.3039     0.4368 
   C  15    0.8708     0.7504     1.3041     1.5673     1.5064     0.7541 
   C  16    1.1520     0.7525     1.5065     1.8966     1.9939     0.7562 

              C   7      O   8      C   9      C  10     Cl  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.2005     0.0000 
   C   9    0.4352     1.5429     0.0000 
   C  10    0.8698     0.8269     1.3049     0.0000 
  Cl  11    1.3083     1.5529     1.1503     1.8979     0.0000 
  Cl  12    1.1493     2.0046     0.7504     1.9908     0.8683     0.0000 
   C  13    1.1517     1.5809     1.5101     0.7540     2.4256     2.2605 
   C  14    1.5707     1.3712     1.9967     0.7561     2.6503     2.7169 
   C  15    0.7525     1.2211     1.1519     0.4331     1.9947     1.8941 
   C  16    1.3065     0.9339     1.7416     0.4367     2.2626     2.4207 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    0.7542     0.0000 
   C  15    0.4375     0.8719     0.0000 
   C  16    0.8719     0.4375     0.7542     0.0000 



ATOMIC CHARGES
   C   1    0.0355810839
   C   2    0.1727310941
   C   3    0.0150872445
   C   4    0.0682879134
   C   5    0.0682001434
   N   6   -0.2180260841
   C   7    0.0037599980
   O   8   -0.2913496930
   C   9    0.0123383270
   C  10    0.0647912493
  Cl  11   -0.0813635549
  Cl  12   -0.0813647136
   C  13    0.0891408219
   C  14    0.0891408219
   C  15    0.0265226740
   C  16    0.0265226740


BOND ANGLES
   2    1    3   C2  Car  Car    120.490
   2    1    7   C2  Car  Car    119.293
   3    1    7  Car  Car  Car    120.218
   1    2    8  Car   C2   O2    115.030
   1    2   10  Car   C2   C3    120.490
   8    2   10   O2   C2   C3    124.481
   1    3    4  Car  Car  Car    119.753
   3    4    5  Car  Car  Car    120.225
   3    4   11  Car  Car   Cl    119.753
   5    4   11  Car  Car   Cl    120.022
   4    5   12  Car  Car   Cl    119.956
   4    5    9  Car  Car  Car    120.022
   9    5   12  Car  Car   Cl    120.022
  13    6   14   C3   N3   C3    120.231
   1    7    9  Car  Car  Car    119.293
   5    9    7  Car  Car  Car    120.490
   2   10   15   C2   C3   C3    120.011
   2   10   16   C2   C3   C3    119.735
  15   10   16   C3   C3   C3    120.254
   6   13   15   N3   C3   C3    120.022
   6   14   16   N3   C3   C3    119.747
  10   15   13   C3   C3   C3    120.011
  10   16   14   C3   C3   C3    119.735


TORSION ANGLES
   8    2    1    3      0.026
   8    2    1    7    179.974
  10    2    1    3    179.974
  10    2    1    7      0.026
   4    3    1    2    179.974
   4    3    1    7      0.026
   5    4    3    1      0.026
  11    4    3    1    179.974
  12    5    4    3    179.974
  12    5    4   11      0.026
   9    5    4    3      0.026
   9    5    4   11    179.974
  13    6   14   16      0.026
   9    7    1    2    179.974
   9    7    1    3      0.026
   5    9    7    1      0.026
  15   10    2    1      0.026
  15   10    2    8    179.974
  16   10    2    1    179.974
  16   10    2    8      0.026
   6   13   15   10      0.026
   6   14   16   10      0.026
  13   15   10    2    179.974
  13   15   10   16      0.026
  14   16   10    2    179.974
  14   16   10   15      0.026
   4    5    9    7      0.026
  12    5    9    7    179.974
  15   13    6   14      0.026