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4-(4-Fluoro-phenoxy)-piperidine 1HCl salt
4-(4-Fluoro-phenoxy)-piperidine 1HCl salt ID: B204103
CAS:3202-34-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1CCC(Oc2ccc(F)cc2)CC1	
FORMULA: C11H14FNO
MASS: 195.2334
EXACT MASS: 195.1059423
INTERATOMIC DISTANCES

              N   1      O   2      C   3      C   4      C   5      F   6
              ------------------------------------------------------------------
   N   1    0.0000 
   O   2    1.8000     0.0000 
   C   3    2.1636     0.6010     0.0000 
   C   4    3.1174     1.7995     1.1985     0.0000 
   C   5    1.2000     0.6000     1.0398     2.1629     0.0000 
   F   6    3.7708     2.5365     1.9355     0.7370     2.8825     0.0000 
   C   7    2.7498     1.0398     0.6000     1.0375     1.5878     1.7179 
   C   8    2.0796     1.0416     0.6010     1.0378     1.2021     1.7134 
   C   9    2.6150     1.5869     1.0375     0.6000     1.7995     1.1568 
   C  10    3.1757     1.5890     1.0398     0.5975     2.0796     1.1601 
   C  11    1.0398     1.0398     1.2000     2.0776     0.6010     2.7379 
   C  12    1.0399     1.0399     1.5891     2.7501     0.6011     3.4756 
   C  13    0.6011     1.5879     2.0797     3.1754     1.0399     3.8775 
   C  14    0.6010     1.5878     1.8000     2.6147     1.0398     3.2328 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0398     0.0000 
   C   9    1.1985     0.5975     0.0000 
   C  10    0.6010     1.2000     1.0378     0.0000 
   C  11    1.8000     1.0398     1.5863     2.1636     0.0000 
   C  12    2.0797     1.8032     2.4006     2.6175     1.0417     0.0000 
   C  13    2.6163     2.1660     2.7501     3.1195     1.2021     0.6000 
   C  14    2.4000     1.5878     2.0776     2.7498     0.6000     1.2021 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.0417     0.0000 



ATOMIC CHARGES
   N   1   -0.2177990600
   O   2   -0.4790731321
   C   3    0.1385191955
   C   4    0.1403441984
   C   5    0.1687807098
   F   6   -0.2041691691
   C   7    0.0391992388
   C   8    0.0391992388
   C   9    0.0327487220
   C  10    0.0327487220
   C  11    0.0623413541
   C  12    0.0623413541
   C  13    0.0924093139
   C  14    0.0924093139


BOND ANGLES
  13    1   14   C3   N3   C3    120.118
   3    2    5  Car   O3   C3    119.944
   2    3    7   O3  Car  Car    119.944
   2    3    8   O3  Car  Car    120.113
   7    3    8  Car  Car  Car    119.944
   6    4   10    F  Car  Car    120.398
   9    4   10  Car  Car  Car    120.140
   6    4    9    F  Car  Car    119.462
   2    5   11   O3   C3   C3    119.944
   2    5   12   O3   C3   C3    119.939
  11    5   12   C3   C3   C3    120.118
   3    7   10  Car  Car  Car    119.944
   3    8    9  Car  Car  Car    119.917
   4    9    8  Car  Car  Car    120.140
   4   10    7  Car  Car  Car    119.917
   5   11   14   C3   C3   C3    119.944
   5   12   13   C3   C3   C3    119.939
   1   13   12   N3   C3   C3    119.939
   1   14   11   N3   C3   C3    119.944


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