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4-(3-Chloro-phenoxy)-piperidine 1HCl salt
4-(3-Chloro-phenoxy)-piperidine 1HCl salt ID: B204099
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1CCC(Oc2cc(Cl)ccc2)CC1	
FORMULA: C11H14ClNO
MASS: 211.6880
EXACT MASS: 211.0763918
INTERATOMIC DISTANCES

              N   1      C   2      C   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.9947     0.0000 
   C   3    1.5714     0.4333     0.0000 
   O   4    1.3083     0.7525     0.4368     0.0000 
   C   5    2.3021     0.4331     0.7504     1.1489     0.0000 
   C   6    0.8708     1.1517     0.7562     0.4375     1.5066     0.0000 
  Cl   7    2.7231     0.7576     1.1542     1.5101     0.4416     1.9017 
   C   8    0.7540     1.5066     1.1521     0.7541     1.8943     0.4331 
   C   9    0.7561     1.3042     0.8709     0.7562     1.5664     0.4368 
   C  10    0.4388     1.7375     1.3042     1.1517     1.9899     0.7525 
   C  11    0.4352     1.8941     1.5066     1.1503     2.2570     0.7504 
   C  12    1.9000     0.8697     0.7541     1.1538     0.7525     1.3086 
   C  13    1.5101     0.7504     0.4331     0.7542     0.8667     0.8719 
   C  14    2.2626     0.7541     0.8697     1.3065     0.4367     1.5707 

             Cl   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
  Cl   7    0.0000 
   C   8    2.2642     0.0000 
   C   9    1.9980     0.7542     0.0000 
   C  10    2.4250     0.8698     0.4333     0.0000 
   C  11    2.6486     0.4333     0.8698     0.7542     0.0000 
   C  12    1.1556     1.7417     1.1520     1.5065     1.9940     0.0000 
   C  13    1.3083     1.3050     0.7541     1.1503     1.5677     0.4367 
   C  14    0.7597     1.9940     1.5065     1.8941     2.3008     0.4333 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.7525     0.0000 



ATOMIC CHARGES
   N   1   -0.2177990600
   C   2    0.0482741338
   C   3    0.1392189154
   O   4   -0.4790473369
   C   5    0.0606880444
   C   6    0.1687812098
  Cl   7   -0.0821416355
   C   8    0.0623413563
   C   9    0.0623413563
   C  10    0.0924093139
   C  11    0.0924093139
   C  12    0.0039777791
   C  13    0.0369502506
   C  14    0.0115963587


BOND ANGLES
  10    1   11   C3   N3   C3    119.299
   3    2    5  Car  Car  Car    120.022
   2    3    4  Car  Car   O3    119.747
   2    3   13  Car  Car  Car    120.022
   4    3   13   O3  Car  Car    120.231
   3    4    6  Car   O3   C3    119.747
   2    5    7  Car  Car   Cl    120.022
   2    5   14  Car  Car  Car    120.225
   7    5   14   Cl  Car  Car    119.753
   4    6    9   O3   C3   C3    119.747
   4    6    8   O3   C3   C3    120.022
   8    6    9   C3   C3   C3    120.231
   6    8   11   C3   C3   C3    120.022
   6    9   10   C3   C3   C3    119.747
   1   10    9   N3   C3   C3    120.211
   1   11    8   N3   C3   C3    120.490
  13   12   14  Car  Car  Car    119.753
   3   13   12  Car  Car  Car    120.225
   5   14   12  Car  Car  Car    119.753


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