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(3-Chloro-phenyl)-piperidin-4-yl-methanone 1HCl salt
(3-Chloro-phenyl)-piperidin-4-yl-methanone 1HCl salt ID: B204111
CAS:887354-02-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=O)(c1cc(Cl)ccc1)C1CCNCC1	
FORMULA: C12H14ClNO
MASS: 223.6987
EXACT MASS: 223.0763918
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.4331     0.0000 
   C   3    0.7504     0.4334     0.0000 
   N   4    1.3084     1.5704     1.9940     0.0000 
   O   5    0.5388     0.8360     0.9104     1.6564     0.0000 
   C   6    0.4375     0.7540     1.1503     0.8709     0.8542     0.0000 
   C   7    1.1488     0.7525     0.4367     2.3021     1.3455     1.5065 
  Cl   8    1.5101     1.1557     0.7597     2.7232     1.5877     1.9017 
   C   9    0.7542     0.4367     0.7525     1.5102     1.2452     0.8719 
   C  10    1.1498     0.7542     0.8699     1.8976     1.5889     1.3050 
   C  11    1.1503     1.3041     1.7375     0.4352     1.6042     0.7504 
   C  12    1.1517     1.5064     1.8941     0.4388     1.3731     0.7525 
   C  13    1.3029     0.8699     0.7542     2.2606     1.6293     1.5677 
   C  14    0.7561     1.1519     1.5065     0.7561     0.9408     0.4367 
   C  15    0.7541     0.8708     1.3042     0.7541     1.2543     0.4331 

              C   7     Cl   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
  Cl   8    0.4417     0.0000 
   C   9    0.8666     1.3083     0.0000 
   C  10    0.7504     1.1543     0.4331     0.0000 
   C  11    1.9906     2.4256     1.1517     1.5065     0.0000 
   C  12    2.2590     2.6503     1.5707     1.9939     0.7541     0.0000 
   C  13    0.4331     0.7576     0.7504     0.4334     1.8941     2.3008 
   C  14    1.8966     2.2662     1.3086     1.7416     0.8697     0.4333 
   C  15    1.5674     1.9988     0.7562     1.1520     0.4333     0.8697 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.9940     0.0000 
   C  15    1.5066     0.7541     0.0000 



ATOMIC CHARGES
   C   1    0.1727304218
   C   2    0.0355277299
   C   3    0.0142339474
   N   4   -0.2180260841
   O   5   -0.2913496958
   C   6    0.0647912464
   C   7    0.0577616581
  Cl   8   -0.0822432922
   C   9    0.0028942634
   C  10    0.0009564849
   C  11    0.0891408219
   C  12    0.0891408219
   C  13    0.0113963283
   C  14    0.0265226740
   C  15    0.0265226740


BOND ANGLES
   2    1    5  Car   C2   O2    118.267
   2    1    6  Car   C2   C3    120.011
   5    1    6   O2   C2   C3    121.722
   1    2    3   C2  Car  Car    120.011
   1    2    9   C2  Car  Car    120.254
   3    2    9  Car  Car  Car    119.735
   2    3    7  Car  Car  Car    119.735
  11    4   12   C3   N3   C3    119.270
   1    6   14   C2   C3   C3    119.753
   1    6   15   C2   C3   C3    120.022
  14    6   15   C3   C3   C3    120.225
   3    7    8  Car  Car   Cl    119.735
   3    7   13  Car  Car  Car    120.254
   8    7   13   Cl  Car  Car    120.011
   2    9   10  Car  Car  Car    120.254
   9   10   13  Car  Car  Car    120.011
   4   11   15   N3   C3   C3    120.501
   4   12   14   N3   C3   C3    120.229
   7   13   10  Car  Car  Car    120.011
   6   14   12   C3   C3   C3    119.753
   6   15   11   C3   C3   C3    120.022


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