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(2-Chloro-phenyl)-piperidin-4-yl-methanone 1HCl salt
(2-Chloro-phenyl)-piperidin-4-yl-methanone 1HCl salt ID: B204110
CAS:792857-93-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(C(=O)C2CCNCC2)c(Cl)cccc1	
FORMULA: C12H14ClNO
MASS: 223.6987
EXACT MASS: 223.0763918
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.4368     0.0000 
   C   3    0.4375     0.7562     0.0000 
   O   4    0.8375     0.5069     0.9449     0.0000 
   N   5    1.5675     1.3042     1.9948     1.5885     0.0000 
   C   6    0.7525     0.4333     1.1517     0.7953     0.8709     0.0000 
  Cl   7    0.8145     0.9375     0.4733     0.8542     2.2417     1.3708 
   C   8    0.4331     0.7542     0.7541     1.2317     1.5066     0.8698 
   C   9    1.3042     1.1517     1.7417     1.5499     0.4368     0.7562 
   C  10    1.5066     1.1503     1.8980     1.3069     0.4331     0.7541 
   C  11    0.7540     1.1520     0.4331     1.3777     2.3021     1.5065 
   C  12    1.1489     0.7504     1.5066     0.8707     0.7541     0.4331 
   C  13    0.8667     0.7525     1.3042     1.2052     0.7562     0.4368 
   C  14    0.7500     1.1498     0.8683     1.5875     1.8943     1.3029 
   C  15    0.8683     1.3050     0.7500     1.6467     2.2606     1.5677 

             Cl   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
  Cl   7    0.0000 
   C   8    1.2032     0.0000 
   C   9    2.0602     1.1503     0.0000 
   C  10    2.0594     1.5677     0.7542     0.0000 
   C  11    0.7571     0.8708     1.9939     2.2605     0.0000 
   C  12    1.6312     1.3029     0.8719     0.4375     1.8942     0.0000 
   C  13    1.6322     0.7504     0.4375     0.8719     1.5664     0.7542 
   C  14    1.3396     0.4331     1.5045     1.9909     0.7540     1.7360 
   C  15    1.1642     0.7541     1.8963     2.3013     0.4331     1.9909 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.1462     0.0000 
   C  15    1.5045     0.4375     0.0000 



ATOMIC CHARGES
   C   1    0.0452505270
   C   2    0.1735187287
   C   3    0.0603993865
   O   4   -0.2913219997
   N   5   -0.2180260841
   C   6    0.0648191884
  Cl   7   -0.0821520029
   C   8    0.0036867287
   C   9    0.0891408235
   C  10    0.0891408235
   C  11    0.0114853406
   C  12    0.0265230471
   C  13    0.0265230471
   C  14    0.0001446253
   C  15    0.0008678203


BOND ANGLES
   2    1    3   C2  Car  Car    119.747
   2    1    8   C2  Car  Car    120.231
   3    1    8  Car  Car  Car    120.022
   1    2    4  Car   C2   O2    124.947
   1    2    6  Car   C2   C3    119.747
   4    2    6   O2   C2   C3    115.306
   1    3    7  Car  Car   Cl    126.763
   1    3   11  Car  Car  Car    120.011
   7    3   11   Cl  Car  Car    113.226
   9    5   10   C3   N3   C3    120.231
   2    6   12   C2   C3   C3    120.022
   2    6   13   C2   C3   C3    119.747
  12    6   13   C3   C3   C3    120.231
   1    8   14  Car  Car  Car    119.956
   5    9   13   N3   C3   C3    119.747
   5   10   12   N3   C3   C3    120.022
   3   11   15  Car  Car  Car    119.979
   6   12   10   C3   C3   C3    120.022
   6   13    9   C3   C3   C3    119.747
   8   14   15  Car  Car  Car    120.022
  11   15   14  Car  Car  Car    120.011


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