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(4-Methoxy-phenyl)-piperidin-4-yl-methanone 1HCl salt
(4-Methoxy-phenyl)-piperidin-4-yl-methanone 1HCl salt ID: B204120
CAS:25519-82-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C1CNCCC1C(=O)c1ccc(cc1)OC	
FORMULA: C13H17NO2
MASS: 219.2796
EXACT MASS: 219.1259288
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5755     0.0000 
   N   3    1.0129     0.6000     0.0000 
   C   4    1.1971     1.0497     0.6001     0.0000 
   C   5    1.0497     1.1971     1.0129     0.5755     0.0000 
   C   6    0.6000     1.0129     1.1571     1.0129     0.6001     0.0000 
   C   7    1.0129     1.5343     1.7326     1.5344     1.0129     0.5755 
   C   8    1.6420     2.1283     2.2222     1.8816     1.3064     1.1187 
   C   9    1.8358     2.2092     2.1383     1.6686     1.1287     1.2391 
   C  10    2.4310     2.7843     2.6578     2.1353     1.6482     1.8327 
   C  11    2.7810     3.1999     3.1448     2.6562     2.1332     2.2030 
   C  12    2.6506     3.1402     3.1987     2.7899     2.2245     2.1286 
   C  13    2.1262     2.6489     2.7865     2.4570     1.8817     1.6571 
   O  14    1.1102     1.6793     2.0887     2.0853     1.6617     1.0822 
   O  15    3.4526     3.8482     3.7444     3.2189     2.7337     2.8661 
   C  16    4.0534     4.3126     4.0387     3.4465     3.1161     3.4570 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.6442     0.0000 
   C   9    1.0110     0.5972     0.0000 
   C  10    1.5853     1.0496     0.5970     0.0000 
   C  11    1.8290     1.1969     1.0076     0.5755     0.0000 
   C  12    1.6410     1.0127     1.1510     1.0130     0.6001     0.0000 
   C  13    1.1168     0.5755     1.0079     1.1972     1.0496     0.5999 
   O  14    0.7621     1.2184     1.7279     2.2600     2.3820     2.0310 
   O  15    2.5147     1.8846     1.6391     1.0870     0.6877     1.1300 
   C  16    3.2833     2.7452     2.2756     1.7038     1.7098     2.2863 

              C  13      O  14      O  15      C  16
              --------------------------------------------
   C  13    0.0000 
   O  14    1.4322     0.0000 
   O  15    1.6863     3.0626     0.0000 
   C  16    2.7490     3.9615     1.2501     0.0000 



ATOMIC CHARGES
   C   1    0.0265226725
   C   2    0.0891408219
   N   3   -0.2180260841
   C   4    0.0891408219
   C   5    0.0265226725
   C   6    0.0647908970
   C   7    0.1727065403
   C   8    0.0348880227
   C   9    0.0059527277
   C  10    0.0369912023
   C  11    0.1387361845
   C  12    0.0369912023
   C  13    0.0059527277
   O  14   -0.2913500372
   O  15   -0.4714269430
   C  16    0.2524665708


BOND ANGLES
   2    1    6   C3   C3   C3    118.992
   1    2    3   C3   C3   N3    118.992
   2    3    4   C3   N3   C3    122.022
   3    4    5   N3   C3   C3    118.987
   4    5    6   C3   C3   C3    118.987
   1    6    5   C3   C3   C3    122.022
   5    6    7   C3   C3   C2    118.987
   1    6    7   C3   C3   C2    118.992
   6    7    8   C3   C2  Car    132.962
   6    7   14   C3   C2   O2    107.180
   8    7   14  Car   C2   O2    119.859
   7    8    9   C2  Car  Car    108.993
   7    8   13   C2  Car  Car    132.514
   9    8   13  Car  Car  Car    118.493
   8    9   10  Car  Car  Car    123.032
   9   10   11  Car  Car  Car    118.474
  10   11   12  Car  Car  Car    118.999
  10   11   15  Car  Car   O3    118.465
  12   11   15  Car  Car   O3    122.536
  11   12   13  Car  Car  Car    122.025
   8   13   12  Car  Car  Car    118.976
  11   15   16  Car   O3   C3    121.089


TORSION ANGLES
   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
   5    6    7   14    179.974
   1    6    7    8    179.974
   1    6    7   14      0.026
   6    7    8    9      0.026
   6    7    8   13    179.974
  14    7    8    9    179.974
  14    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
  12   13    8    7    179.974
  12   13    8    9      0.026
  10   11   15   16      0.026
  12   11   15   16    179.974
   6    1    2    3      0.026