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4-(3-Trifluoromethyl-phenyl)-piperidine 1HCl salt
4-(3-Trifluoromethyl-phenyl)-piperidine 1HCl salt ID: B204130
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C1CNCCC1c1cccc(c1)C(F)(F)F	
FORMULA: C12H14F3N
MASS: 229.2415
EXACT MASS: 229.1078341
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.4350     0.0000 
   N   3    0.7534     0.4350     0.0000 
   C   4    0.8700     0.7534     0.4350     0.0000 
   C   5    0.7534     0.8700     0.7534     0.4350     0.0000 
   C   6    0.4350     0.7534     0.8700     0.7534     0.4350     0.0000 
   C   7    0.8283     1.2633     1.5271     1.4692     1.1174     0.7158 
   C   8    0.7194     1.1127     1.2633     1.1104     0.7158     0.3933 
   C   9    1.1220     1.4726     1.5288     1.2633     0.8283     0.7194 
   C  10    1.4726     1.8592     1.9530     1.6982     1.2632     1.1126 
   C  11    1.5287     1.9530     2.1332     1.9517     1.5270     1.2632 
   C  12    1.2632     1.6982     1.9517     1.8564     1.4691     1.1103 
   C  13    1.9203     2.2727     2.2950     1.9725     1.5535     1.5204 
   F  14    2.6322     3.0574     3.2236     3.0026     2.5682     2.3563 
   F  15    3.1216     3.4301     3.3651     2.9767     2.6153     2.6984 
   F  16    1.8898     2.0266     1.8075     1.3752     1.1642     1.4817 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.4350     0.0000 
   C   9    0.7534     0.4350     0.0000 
   C  10    0.8699     0.7533     0.4349     0.0000 
   C  11    0.7533     0.8699     0.7533     0.4350     0.0000 
   C  12    0.4349     0.7533     0.8699     0.7534     0.4350     0.0000 
   C  13    1.3827     1.2110     0.8017     0.5139     0.8422     1.2382 
   F  14    1.8340     1.9647     1.7425     1.3100     1.1044     1.4295 
   F  15    2.6318     2.4367     2.0067     1.7621     2.0233     2.4504 
   F  16    1.8934     1.4825     1.1722     1.3918     1.8232     2.0366 

              C  13      F  14      F  15      F  16
              --------------------------------------------
   C  13    0.0000 
   F  14    1.2500     0.0000 
   F  15    1.2495     1.7674     0.0000 
   F  16    1.2501     2.5000     1.7674     0.0000 



ATOMIC CHARGES
   C   1    0.0231986639
   C   2    0.0890319198
   N   3   -0.2180289541
   C   4    0.0890319198
   C   5    0.0231986639
   C   6    0.0251890863
   C   7   -0.0042887046
   C   8   -0.0224619331
   C   9   -0.0004246514
   C  10    0.0711082310
   C  11    0.0038307529
   C  12   -0.0003794401
   C  13    0.4185682431
   F  14   -0.1658579325
   F  15   -0.1658579325
   F  16   -0.1658579325


BOND ANGLES
   2    1    6   C3   C3   C3    120.001
   1    2    3   C3   C3   N3    120.001
   2    3    4   C3   N3   C3    119.997
   3    4    5   N3   C3   C3    120.001
   4    5    6   C3   C3   C3    120.001
   1    6    8   C3   C3  Car    120.497
   1    6    5   C3   C3   C3    119.997
   5    6    8   C3   C3  Car    119.506
   8    7   12  Car  Car  Car    120.001
   7    8    9  Car  Car  Car    119.997
   6    8    7   C3  Car  Car    119.506
   6    8    9   C3  Car  Car    120.497
   8    9   10  Car  Car  Car    120.001
   9   10   11  Car  Car  Car    120.001
   9   10   13  Car  Car   C3    115.074
  11   10   13  Car  Car   C3    124.924
  10   11   12  Car  Car  Car    119.997
   7   12   11  Car  Car  Car    120.001
  10   13   14  Car   C3    F     85.073
  10   13   15  Car   C3    F    175.076
  10   13   16  Car   C3    F     94.924
  14   13   15    F   C3    F     90.003
  14   13   16    F   C3    F    179.974
  15   13   16    F   C3    F     90.000


TORSION ANGLES
   8    6    1    2    179.974
   5    6    1    2      0.026
  12    7    8    9      0.026
  12    7    8    6    179.974
   7    8    9   10      0.026
   6    8    9   10    179.974
   8    9   10   11      0.026
   8    9   10   13    179.974
   9   10   11   12      0.026
  13   10   11   12    179.974
  10   11   12    7      0.026
  11   12    7    8      0.026
   1    6    8    7      0.026
   1    6    8    9    179.974
   5    6    8    7    179.974
   5    6    8    9      0.026
   9   10   13   14    179.974
   9   10   13   15    179.974
   9   10   13   16      0.026
  11   10   13   14      0.026
  11   10   13   15      0.026
  11   10   13   16    179.974
   6    1    2    3      0.026
   1    2    3    4      0.026
   2    3    4    5      0.026
   3    4    5    6      0.026
   4    5    6    1      0.026
   4    5    6    8    179.974