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4-(2-Chloro-phenoxy)-piperidine 1HCl salt
4-(2-Chloro-phenoxy)-piperidine 1HCl salt ID: B204098
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(OC2CCNCC2)c(Cl)cccc1	
FORMULA: C11H14ClNO
MASS: 211.6880
EXACT MASS: 211.0763918
INTERATOMIC DISTANCES

              C   1      O   2      N   3      C   4      C   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.4331     0.0000 
   N   3    1.5664     1.3041     0.0000 
   C   4    0.4375     0.7541     1.9939     0.0000 
   C   5    0.7504     0.4333     0.8708     1.1503     0.0000 
  Cl   6    0.8125     0.9375     2.2416     0.4700     1.3708     0.0000 
   C   7    0.8667     0.7504     0.7540     1.3042     0.4331     1.6312 
   C   8    1.1489     0.7525     0.7561     1.5066     0.4368     1.6322 
   C   9    1.5066     1.1517     0.4367     1.8980     0.7562     2.0602 
   C  10    1.3042     1.1503     0.4331     1.7417     0.7541     2.0594 
   C  11    0.4368     0.7542     1.5065     0.7562     0.8698     1.2032 
   C  12    0.7562     1.1521     2.3021     0.4368     1.5066     0.7571 
   C  13    0.7542     1.1498     1.8942     0.8719     1.3029     1.3396 
   C  14    0.8719     1.3050     2.2605     0.7542     1.5677     1.1642 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7542     0.0000 
   C   9    0.8719     0.4375     0.0000 
   C  10    0.4375     0.8719     0.7542     0.0000 
   C  11    0.7525     1.3066     1.5707     1.1517     0.0000 
   C  12    1.5675     1.8968     2.2627     1.9948     0.8709     0.0000 
   C  13    1.1489     1.7397     1.9940     1.5066     0.4331     0.7541 
   C  14    1.5066     1.9940     2.3041     1.8980     0.7541     0.4331 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.4375     0.0000 



ATOMIC CHARGES
   C   1    0.1488040078
   O   2   -0.4782232275
   N   3   -0.2177990600
   C   4    0.0915123944
   C   5    0.1688207148
  Cl   6   -0.0790818716
   C   7    0.0623419068
   C   8    0.0623419068
   C   9    0.0924093162
   C  10    0.0924093162
   C  11    0.0377716653
   C  12    0.0144576683
   C  13    0.0031673202
   C  14    0.0010679421


BOND ANGLES
   2    1    4   O3  Car  Car    120.022
   2    1   11   O3  Car  Car    120.231
   4    1   11  Car  Car  Car    119.747
   1    2    5  Car   O3   C3    120.022
   9    3   10   C3   N3   C3    120.254
   1    4    6  Car  Car   Cl    127.070
   1    4   12  Car  Car  Car    119.747
   6    4   12   Cl  Car  Car    113.184
   2    5    7   O3   C3   C3    120.022
   2    5    8   O3   C3   C3    119.747
   7    5    8   C3   C3   C3    120.231
   5    7   10   C3   C3   C3    120.022
   5    8    9   C3   C3   C3    119.747
   3    9    8   N3   C3   C3    119.735
   3   10    7   N3   C3   C3    120.011
   1   11   13  Car  Car  Car    120.231
   4   12   14  Car  Car  Car    120.231
  11   13   14  Car  Car  Car    120.022
  12   14   13  Car  Car  Car    120.022


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