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4-(4'-Fluorobenzyl)piperidine
4-(4'-Fluorobenzyl)piperidine ID: CHH15529
CAS:92822-02-1
Supplier:ChemiK Co.,Ltd.

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SMILES:N1CCC(CC1)Cc1ccc(cc1)F	
FORMULA: C12H16FN
MASS: 193.2605
EXACT MASS: 193.1266777
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7023     0.0000 
   C   3    1.2164     0.7023     0.0000 
   C   4    1.4046     1.2164     0.7023     0.0000 
   C   5    1.2164     1.4046     1.2164     0.7023     0.0000 
   C   6    0.7023     1.2165     1.4046     1.2165     0.7023     0.0000 
   C   7    2.1068     1.8581     1.2164     0.7023     1.2164     1.8581 
   C   8    2.5321     2.4328     1.8581     1.2164     1.4046     2.1069 
   C   9    3.2183     3.0612     2.4328     1.8581     2.1068     2.8092 
   C  10    3.7162     3.6492     3.0612     2.4328     2.5321     3.2183 
   C  11    3.6492     3.7162     3.2183     2.5321     2.4328     3.0612 
   C  12    3.0612     3.2183     2.8092     2.1069     1.8581     2.4328 
   C  13    2.4328     2.5321     2.1068     1.4046     1.2164     1.8581 
   F  14    4.2719     4.3858     3.9102     3.2183     3.0612     3.6492 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7023     0.0000 
   C   9    1.2164     0.7023     0.0000 
   C  10    1.8581     1.2164     0.7023     0.0000 
   C  11    2.1068     1.4046     1.2164     0.7023     0.0000 
   C  12    1.8581     1.2165     1.4046     1.2165     0.7023     0.0000 
   C  13    1.2164     0.7023     1.2164     1.4046     1.2164     0.7023 
   F  14    2.8092     2.1069     1.8581     1.2165     0.7023     1.2164 

              C  13      F  14
              ----------------------
   C  13    0.0000 
   F  14    1.8581     0.0000 



ATOMIC CHARGES
   N   1   -0.2180505694
   C   2    0.0887070527
   C   3    0.0191850233
   C   4    0.0072155725
   C   5    0.0191850233
   C   6    0.0887070527
   C   7    0.0264373728
   C   8   -0.0220440239
   C   9   -0.0019619847
   C  10    0.0293148428
   C  11    0.1401238795
   C  12    0.0293148428
   C  13   -0.0019619847
   F  14   -0.2041720996


BOND ANGLES
   2    1    6   C3   N3   C3    120.004
   1    2    3   N3   C3   C3    119.997
   2    3    4   C3   C3   C3    120.006
   3    4    5   C3   C3   C3    119.997
   3    4    7   C3   C3   C3    120.006
   5    4    7   C3   C3   C3    119.997
   4    5    6   C3   C3   C3    120.004
   1    6    5   N3   C3   C3    119.992
   4    7    8   C3   C3  Car    120.006
   7    8    9   C3  Car  Car    120.006
   7    8   13   C3  Car  Car    119.997
   9    8   13  Car  Car  Car    119.997
   8    9   10  Car  Car  Car    120.006
   9   10   11  Car  Car  Car    119.997
  10   11   12  Car  Car  Car    120.004
  10   11   14  Car  Car    F    120.004
  12   11   14  Car  Car    F    119.992
  11   12   13  Car  Car  Car    119.992
   8   13   12  Car  Car  Car    120.004


TORSION ANGLES
   6    1    2    3      0.026
   1    2    3    4      0.026
   2    3    4    5      0.026
   2    3    4    7    179.974
   3    4    5    6      0.026
   7    4    5    6    179.974
   4    5    6    1      0.026
   2    1    6    5      0.026
   4    7    8    9    179.974
   4    7    8   13      0.026
   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
   7    8   13   12    179.974
   9    8   13   12      0.026
   3    4    7    8    179.974
   5    4    7    8      0.026