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4-(4-Fluorobenzoyl)piperidine hydrochloride
4-(4-Fluorobenzoyl)piperidine hydrochloride ID: CHH15549
CAS:25519-78-2
Supplier:ChemiK Co.,Ltd.

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SMILES:N1CCC(CC1)C(=O)c1ccc(cc1)F.Cl	
FORMULA: C12H15ClFNO
MASS: 243.7050
EXACT MASS: 243.0826200
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7483     0.0000 
   C   3    1.2961     0.7483     0.0000 
   C   4    1.4966     1.2961     0.7482     0.0000 
   C   5    1.2961     1.4966     1.2960     0.7483     0.0000 
   C   6    0.7483     1.2961     1.4965     1.2960     0.7482     0.0000 
   C   7    2.2449     1.9799     1.2961     0.7483     1.2961     1.9797 
   C   8    2.6980     2.5922     1.9798     1.2961     1.4966     2.2448 
   C   9    3.4291     3.2617     2.5921     1.9798     2.2448     2.9931 
   C  10    3.9597     3.8883     3.2617     2.5922     2.6980     3.4291 
   C  11    3.8883     3.9597     3.4291     2.6980     2.5922     3.2617 
   C  12    3.2617     3.4291     2.9931     2.2448     1.9798     2.5921 
   C  13    2.5922     2.6980     2.2448     1.4966     1.2961     1.9798 
   O  14    2.6980     2.2449     1.4966     1.2961     1.9798     2.5921 
   F  15    4.5517     4.6731     4.1662     3.4291     3.2617     3.8882 
   H  16    2.5922     1.9798     1.2961     1.4966     2.2449     2.6980 
  Cl  17    3.2618     2.5922     1.9798     2.2449     2.9932     3.4291 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7482     0.0000 
   C   9    1.2960     0.7482     0.0000 
   C  10    1.9798     1.2961     0.7483     0.0000 
   C  11    2.2448     1.4966     1.2961     0.7483     0.0000 
   C  12    1.9797     1.2960     1.4965     1.2961     0.7483     0.0000 
   C  13    1.2960     0.7483     1.2960     1.4966     1.2961     0.7482 
   O  14    0.7483     1.2960     1.4965     2.2448     2.6980     2.5921 
   F  15    2.9931     2.2448     1.9797     1.2960     0.7482     1.2961 
   H  16    1.2962     1.9798     2.2449     2.9932     3.4292     3.2617 
  Cl  17    1.9799     2.5922     2.6980     3.4292     3.9596     3.8882 

              C  13      O  14      F  15      H  16     Cl  17
              -------------------------------------------------------
   C  13    0.0000 
   O  14    1.9798     0.0000 
   F  15    1.9798     3.4290     0.0000 
   H  16    2.5922     0.7484     4.1663     0.0000 
  Cl  17    3.2618     1.2962     4.6731     0.7483     0.0000 



ATOMIC CHARGES
   N   1   -0.2180260841
   C   2    0.0891408219
   C   3    0.0265226725
   C   4    0.0647908937
   C   5    0.0265226725
   C   6    0.0891408219
   C   7    0.1727057925
   C   8    0.0348316017
   C   9    0.0051450073
   C  10    0.0297282894
   C  11    0.1401460842
   C  12    0.0297282894
   C  13    0.0051450073
   O  14   -0.2913500404
   F  15   -0.2041718297
   H  16    0.1453996612
  Cl  17   -0.1453996612


BOND ANGLES
   2    1    6   C3   N3   C3    119.995
   1    2    3   N3   C3   C3    119.995
   2    3    4   C3   C3   C3    120.007
   3    4    5   C3   C3   C3    119.998
   3    4    7   C3   C3   C2    120.007
   5    4    7   C3   C3   C2    119.995
   4    5    6   C3   C3   C3    119.998
   1    6    5   N3   C3   C3    120.007
   8    7   14  Car   C2   O2    119.998
   4    7    8   C3   C2  Car    120.007
   4    7   14   C3   C2   O2    119.995
   7    8    9   C2  Car  Car    120.003
   7    8   13   C2  Car  Car    119.998
   9    8   13  Car  Car  Car    119.998
   8    9   10  Car  Car  Car    120.007
   9   10   11  Car  Car  Car    119.995
  10   11   12  Car  Car  Car    119.995
  10   11   15  Car  Car    F    119.998
  12   11   15  Car  Car    F    120.007
  11   12   13  Car  Car  Car    120.007
   8   13   12  Car  Car  Car    119.998


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
  14    7    8    9      0.026
  14    7    8   13    179.974
   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   15    179.974
  10   11   12   13      0.026
  15   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
   3    4    7   14      0.026
   5    4    7    8      0.026
   5    4    7   14    179.974