Sign In Join Free

Products Information

4-(3,4-Difluoro-phenoxy)-piperidine 1HCl salt
4-(3,4-Difluoro-phenoxy)-piperidine 1HCl salt ID: B204104
CAS:204013-09-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c1(cc(OC2CCNCC2)ccc1F)F	
FORMULA: C11H13F2NO
MASS: 213.2238
EXACT MASS: 213.0965205
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      N   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5974     0.0000 
   C   3    0.6000     1.0377     0.0000 
   C   4    1.0375     0.6011     1.1985     0.0000 
   N   5    2.6150     2.0797     3.1174     2.1636     0.0000 
   O   6    1.5869     1.0417     1.7995     0.6010     1.8000     0.0000 
   C   7    1.0377     1.2000     0.5974     1.0399     3.1757     1.5891 
   F   8    0.6011     1.0375     1.0399     1.5870     2.7501     2.0792 
   C   9    1.1985     1.0399     1.0375     0.6000     2.7498     1.0398 
   F  10    1.0399     1.5863     0.6011     1.7996     3.6501     2.4006 
   C  11    1.7995     1.2021     2.1629     1.0398     1.2000     0.6000 
   C  12    2.4006     1.8032     2.7500     1.5890     1.0398     1.0398 
   C  13    1.5863     1.0399     2.0776     1.2000     1.0398     1.0398 
   C  14    2.0776     1.5879     2.6147     1.8000     0.6010     1.5878 
   C  15    2.7500     2.1660     3.1753     2.0796     0.6010     1.5878 

              C   7      F   8      C   9      F  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   F   8    1.5863     0.0000 
   C   9    0.6011     1.7996     0.0000 
   F  10    1.0375     1.2000     1.5870     0.0000 
   C  11    2.0797     2.1640     1.5878     2.7501     0.0000 
   C  12    2.6175     2.7514     2.0796     3.3422     0.6010     0.0000 
   C  13    2.1636     1.7996     1.8000     2.6151     0.6010     1.0416 
   C  14    2.7498     2.1630     2.4000     3.1175     1.0398     1.2021 
   C  15    3.1195     3.0017     2.6163     3.7483     1.0398     0.6000 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.6000     0.0000 
   C  15    1.2021     1.0416     0.0000 



ATOMIC CHARGES
   C   1    0.1704025755
   C   2    0.0688207936
   C   3    0.1675860394
   C   4    0.1407677541
   N   5   -0.2177990600
   O   6   -0.4789987624
   C   7    0.0350763691
   F   8   -0.2016926758
   C   9    0.0393496151
   F  10   -0.2017960846
   C  11    0.1687820881
   C  12    0.0623413601
   C  13    0.0623413601
   C  14    0.0924093139
   C  15    0.0924093139


BOND ANGLES
   2    1    3  Car  Car  Car    120.145
   2    1    8  Car  Car    F    119.917
   3    1    8  Car  Car    F    119.939
   1    2    4  Car  Car  Car    119.917
   1    3    7  Car  Car  Car    120.145
   1    3   10  Car  Car    F    119.939
   7    3   10  Car  Car    F    119.917
   2    4    6  Car  Car   O3    120.118
   2    4    9  Car  Car  Car    119.939
   6    4    9   O3  Car  Car    119.944
  14    5   15   C3   N3   C3    120.113
   4    6   11  Car   O3   C3    119.944
   3    7    9  Car  Car  Car    119.917
   4    9    7  Car  Car  Car    119.939
   6   11   12   O3   C3   C3    119.944
   6   11   13   O3   C3   C3    119.944
  12   11   13   C3   C3   C3    120.113
  11   12   15   C3   C3   C3    119.944
  11   13   14   C3   C3   C3    119.944
   5   14   13   N3   C3   C3    119.944
   5   15   12   N3   C3   C3    119.944


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