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4-(2-Trifluoromethyl-phenyl)-piperidine 1HCl salt
4-(2-Trifluoromethyl-phenyl)-piperidine 1HCl salt ID: B204131
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C1CNCCC1c1ccccc1C(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    0.4349     0.0000 
   N   3    0.7533     0.4350     0.0000 
   C   4    0.8699     0.7534     0.4350     0.0000 
   C   5    0.7534     0.8699     0.7533     0.4349     0.0000 
   C   6    0.4350     0.7533     0.8699     0.7533     0.4350     0.0000 
   C   7    0.8283     1.2632     1.5270     1.4691     1.1174     0.7158 
   C   8    0.7194     1.1126     1.2632     1.1103     0.7158     0.3933 
   C   9    1.1220     1.4726     1.5287     1.2632     0.8283     0.7194 
   C  10    1.4726     1.8592     1.9530     1.6982     1.2633     1.1127 
   C  11    1.5288     1.9530     2.1332     1.9517     1.5271     1.2633 
   C  12    1.2633     1.6982     1.9517     1.8564     1.4692     1.1104 
   C  13    1.4142     1.6491     1.5499     1.1683     0.8032     0.9811 
   F  14    2.5452     2.8529     2.7968     2.4172     2.0449     2.1210 
   F  15    2.3613     2.3980     2.0839     1.6613     1.6079     1.9983 
   F  16    0.8042     0.6519     0.3279     0.1092     0.4834     0.7424 

              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    0.8700     0.7534     0.4350     0.0000 
   C  11    0.7534     0.8700     0.7534     0.4350     0.0000 
   C  12    0.4350     0.7534     0.8700     0.7534     0.4350     0.0000 
   C  13    1.2910     0.8957     0.5630     0.8343     1.2492     1.4303 
   F  14    2.0850     1.8662     1.4338     1.2219     1.5354     1.9454 
   F  15    2.5046     2.0781     1.8133     2.0524     2.4833     2.6828 
   F  16    1.4529     1.1165     1.3050     1.7389     1.9719     1.8525 

              C  13      F  14      F  15      F  16
              --------------------------------------------
   C  13    0.0000 
   F  14    1.2500     0.0000 
   F  15    1.2533     1.7701     0.0000 
   F  16    1.2500     2.4999     1.7701     0.0000 



ATOMIC CHARGES
   C   1    0.0231920483
   C   2    0.0890318030
   N   3   -0.2180289552
   C   4    0.0890318030
   C   5    0.0231920483
   C   6    0.0251511893
   C   7   -0.0043255765
   C   8   -0.0185121763
   C   9    0.0674699635
   C  10    0.0035327703
   C  11   -0.0000768492
   C  12   -0.0003357907
   C  13    0.4182860464
   F  14   -0.1658694414
   F  15   -0.1658694414
   F  16   -0.1658694414


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
   8    9   13  Car  Car   C3    127.196
  10    9   13  Car  Car   C3    112.803
   9   10   11  Car  Car  Car    120.001
  10   11   12  Car  Car  Car    119.997
   7   12   11  Car  Car  Car    120.001
   9   13   14  Car   C3    F     97.198
   9   13   15  Car   C3    F    172.801
   9   13   16  Car   C3    F     82.802
  14   13   15    F   C3    F     90.001
  14   13   16    F   C3    F    179.974
  15   13   16    F   C3    F     89.999


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
   7    8    9   13    179.974
   6    8    9   10    179.974
   6    8    9   13      0.026
   8    9   10   11      0.026
  13    9   10   11    179.974
   9   10   11   12      0.026
  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
   8    9   13   14    179.974
   8    9   13   15      0.026
   8    9   13   16      0.026
  10    9   13   14      0.026
  10    9   13   15    179.974
  10    9   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