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4-(4-Chloro-phenoxy)-piperidine 1HCl salt
4-(4-Chloro-phenoxy)-piperidine 1HCl salt ID: B204100
CAS:97839-99-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1CCC(Oc2ccc(Cl)cc2)CC1	
FORMULA: C11H14ClNO
MASS: 211.6880
EXACT MASS: 211.0763918
INTERATOMIC DISTANCES

              N   1      O   2      C   3      C   4      C   5     Cl   6
              ------------------------------------------------------------------
   N   1    0.0000 
   O   2    1.3042     0.0000 
   C   3    1.5714     0.4388     0.0000 
   C   4    2.2605     1.3050     0.8662     0.0000 
   C   5    0.8708     0.4334     0.7562     1.5677     0.0000 
  Cl   6    2.6468     1.7416     1.3028     0.4367     1.9940     0.0000 
   C   7    1.5066     0.7542     0.4352     0.7540     0.8699     1.1519 
   C   8    1.9947     0.7561     0.4333     0.7500     1.1517     1.1497 
   C   9    2.3021     1.1520     0.7504     0.4331     1.5066     0.7541 
   C  10    1.8976     1.1506     0.7500     0.4333     1.3050     0.7525 
   C  11    0.7541     0.7504     1.1520     1.9908     0.4331     2.4207 
   C  12    0.7562     0.7525     0.8708     1.5044     0.4367     1.8941 
   C  13    0.4368     1.1517     1.3083     1.8962     0.7561     2.2605 
   C  14    0.4331     1.1503     1.5101     2.3013     0.7540     2.7169 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7540     0.0000 
   C   9    0.8708     0.4331     0.0000 
   C  10    0.4352     0.8662     0.7504     0.0000 
   C  11    1.3029     1.5065     1.8942     1.7381     0.0000 
   C  12    0.7504     1.3041     1.5664     1.1493     0.7542     0.0000 
   C  13    1.1503     1.7416     1.9939     1.5080     0.8719     0.4375 
   C  14    1.5677     1.8979     2.2605     1.9936     0.4375     0.8719 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.7542     0.0000 



ATOMIC CHARGES
   N   1   -0.2177990600
   O   2   -0.4790743140
   C   3    0.1384288326
   C   4    0.0578711496
   C   5    0.1687807028
  Cl   6   -0.0822418633
   C   7    0.0377606591
   C   8    0.0377606591
   C   9    0.0145059491
   C  10    0.0145059491
   C  11    0.0623413541
   C  12    0.0623413541
   C  13    0.0924093139
   C  14    0.0924093139


BOND ANGLES
  13    1   14   C3   N3   C3    120.231
   3    2    5  Car   O3   C3    120.211
   2    3    7   O3  Car  Car    119.299
   2    3    8   O3  Car  Car    120.211
   7    3    8  Car  Car  Car    120.490
   6    4    9   Cl  Car  Car    120.225
   9    4   10  Car  Car  Car    120.022
   6    4   10   Cl  Car  Car    119.753
   2    5   12   O3   C3   C3    119.735
   2    5   11   O3   C3   C3    120.011
  11    5   12   C3   C3   C3    120.254
   3    7   10  Car  Car  Car    119.021
   3    8    9  Car  Car  Car    120.022
   4    9    8  Car  Car  Car    119.956
   4   10    7  Car  Car  Car    120.490
   5   11   14   C3   C3   C3    120.011
   5   12   13   C3   C3   C3    119.735
   1   13   12   N3   C3   C3    119.747
   1   14   11   N3   C3   C3    120.022


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