Sign In Join Free

Products Information

4-(4-Trifluoromethyl-phenoxy)-piperidine 1HCl salt
4-(4-Trifluoromethyl-phenoxy)-piperidine 1HCl salt ID: B204105
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:C1CNCCC1Oc1ccc(cc1)C(F)(F)F	
FORMULA: C12H14F3NO
MASS: 245.2409
EXACT MASS: 245.1027487
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   N   3    1.0392     0.6000     0.0000 
   C   4    1.2001     1.0393     0.6001     0.0000 
   C   5    1.0393     1.2001     1.0393     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0393     0.6001     0.0000 
   O   7    1.0392     1.5874     1.8000     1.5875     1.0393     0.6000 
   C   8    1.6690     2.1709     2.2663     1.9059     1.3059     1.1322 
   C   9    1.8553     2.2381     2.1709     1.6879     1.1322     1.2564 
   C  10    2.4547     2.8200     2.7011     2.1708     1.6689     1.8553 
   C  11    2.8200     3.2557     3.2099     2.7128     2.1708     2.2381 
   C  12    2.7011     3.2099     3.2752     2.8536     2.2663     2.1709 
   C  13    2.1709     2.7129     2.8536     2.5059     1.9059     1.6879 
   C  14    3.4097     3.8257     3.7392     3.2120     2.7031     2.8216 
   F  15    3.8370     4.3626     4.4359     4.0015     3.4209     3.3254 
   F  16    4.6447     5.0332     4.8917     4.3317     3.8735     4.0507 
   F  17    3.4137     3.6558     3.3781     2.7832     2.4566     2.8265 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    0.6594     0.0000 
   C   9    1.0447     0.6000     0.0000 
   C  10    1.6109     1.0392     0.6000     0.0000 
   C  11    1.8553     1.2000     1.0392     0.6000     0.0000 
   C  12    1.6690     1.0392     1.2000     1.0392     0.6000     0.0000 
   C  13    1.1322     0.6000     1.0392     1.2000     1.0392     0.6000 
   C  14    2.4558     1.8010     1.5892     1.0414     0.6010     1.0388 
   F  15    2.7980     2.1937     2.3224     1.9880     1.3892     1.1614 
   F  16    3.7052     3.0509     2.8001     2.2134     1.8510     2.2122 
   F  17    2.7125     2.1908     1.6681     1.1583     1.3847     1.9835 

              C  13      C  14      F  15      F  16      F  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    1.5875     0.0000 
   F  15    1.6703     1.2500     0.0000 
   F  16    2.7991     1.2500     1.7677     0.0000 
   F  17    2.3185     1.2501     2.5000     1.7678     0.0000 



ATOMIC CHARGES
   C   1    0.0623413541
   C   2    0.0924093139
   N   3   -0.2177990600
   C   4    0.0924093139
   C   5    0.0623413541
   C   6    0.1687806972
   O   7   -0.4790752419
   C   8    0.1383620434
   C   9    0.0368387840
   C  10    0.0069629526
   C  11    0.0716195157
   C  12    0.0069629526
   C  13    0.0368387840
   C  14    0.4185805517
   F  15   -0.1658577719
   F  16   -0.1658577719
   F  17   -0.1658577719


BOND ANGLES
   2    1    6   C3   C3   C3    120.001
   1    2    3   C3   C3   N3    120.001
   2    3    4   C3   N3   C3    120.003
   3    4    5   N3   C3   C3    119.996
   4    5    6   C3   C3   C3    119.996
   1    6    5   C3   C3   C3    120.003
   5    6    7   C3   C3   O3    119.996
   1    6    7   C3   C3   O3    120.001
   6    7    8   C3   O3  Car    127.991
   7    8    9   O3  Car  Car    112.008
   7    8   13   O3  Car  Car    127.991
   9    8   13  Car  Car  Car    120.001
   8    9   10  Car  Car  Car    119.999
   9   10   11  Car  Car  Car    120.001
  10   11   12  Car  Car  Car    120.001
  10   11   14  Car  Car   C3    120.243
  12   11   14  Car  Car   C3    119.757
  11   12   13  Car  Car  Car    119.999
   8   13   12  Car  Car  Car    120.001
  11   14   15  Car   C3    F     90.242
  11   14   16  Car   C3    F    179.758
  11   14   17  Car   C3    F     89.756
  15   14   16    F   C3    F     90.000
  15   14   17    F   C3    F    179.974
  16   14   17    F   C3    F     90.002


TORSION ANGLES
   6    7    8    9      0.026
   6    7    8   13    179.974
   7    8    9   10    179.974
  13    8    9   10      0.026
   8    9   10   11      0.026
   9   10   11   12      0.026
   9   10   11   14    179.974
  10   11   12   13      0.026
  14   11   12   13    179.974
  11   12   13    8      0.026
  12   13    8    7    179.974
  12   13    8    9      0.026
  10   11   14   15    179.974
  10   11   14   16      0.026
  10   11   14   17      0.026
  12   11   14   15      0.026
  12   11   14   16    179.974
  12   11   14   17    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    7    179.974
   5    6    1    2      0.026
   7    6    1    2    179.974
   5    6    7    8      0.026
   1    6    7    8    179.974