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4-(4-Methoxy-phenoxy)-piperidine 1HCl salt
4-(4-Methoxy-phenoxy)-piperidine 1HCl salt ID: B204108
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C1CNCCC1Oc1ccc(cc1)OC	
FORMULA: C12H17NO2
MASS: 207.2689
EXACT MASS: 207.1259288
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   N   3    1.0392     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0392     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
   O   7    1.0392     1.5874     1.8000     1.5874     1.0392     0.6000 
   C   8    1.6790     2.1931     2.3065     1.9595     1.3598     1.1571 
   C   9    1.8450     2.2448     2.1976     1.7276     1.1616     1.2486 
   C  10    2.4434     2.8231     2.7213     2.2001     1.6853     1.8454 
   C  11    2.8199     3.2668     3.2360     2.7480     2.1981     2.2432 
   C  12    2.7143     3.2315     3.3109     2.8994     2.3090     2.1936 
   C  13    2.1911     2.7407     2.8959     2.5594     1.9596     1.7220 
   O  14    3.4923     3.9155     3.8366     3.3124     2.7995     2.9068 
   C  15    4.0662     4.3496     4.0996     3.5085     3.1504     3.4694 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    0.6545     0.0000 
   C   9    1.0019     0.6000     0.0000 
   C  10    1.5765     1.0392     0.6000     0.0000 
   C  11    1.8417     1.2000     1.0392     0.6000     0.0000 
   C  12    1.6783     1.0393     1.2000     1.0392     0.6000     0.0000 
   C  13    1.1553     0.6000     1.0393     1.2000     1.0392     0.6000 
   O  14    2.5287     1.8891     1.6708     1.1156     0.6891     1.1189 
   C  15    3.2760     2.7330     2.2786     1.7045     1.7015     2.2742 

              C  13      O  14      C  15
              ---------------------------------
   C  13    0.0000 
   O  14    1.6730     0.0000 
   C  15    2.7312     1.2500     0.0000 



ATOMIC CHARGES
   C   1    0.0623413541
   C   2    0.0924093139
   N   3   -0.2177990600
   C   4    0.0924093139
   C   5    0.0623413541
   C   6    0.1687807145
   O   7   -0.4790723500
   C   8    0.1385761219
   C   9    0.0400066385
   C  10    0.0400114431
   C  11    0.1389347795
   C  12    0.0400114431
   C  13    0.0400066385
   O  14   -0.4714242916
   C  15    0.2524665866


BOND ANGLES
   2    1    6   C3   C3   C3    120.001
   1    2    3   C3   C3   N3    120.001
   2    3    4   C3   N3   C3    119.999
   3    4    5   N3   C3   C3    120.001
   4    5    6   C3   C3   C3    120.001
   1    6    5   C3   C3   C3    119.999
   5    6    7   C3   C3   O3    120.001
   1    6    7   C3   C3   O3    120.001
   6    7    8   C3   O3  Car    134.511
   7    8    9   O3  Car  Car    105.921
   7    8   13   O3  Car  Car    134.081
   9    8   13  Car  Car  Car    119.998
   8    9   10  Car  Car  Car    119.998
   9   10   11  Car  Car  Car    120.003
  10   11   12  Car  Car  Car    120.003
  10   11   14  Car  Car   O3    119.700
  12   11   14  Car  Car   O3    120.297
  11   12   13  Car  Car  Car    119.999
   8   13   12  Car  Car  Car    119.999
  11   14   15  Car   O3   C3    119.870


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
   1    6    7    8    179.974
   6    7    8    9      0.026
   6    7    8   13    179.974
   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
  12   13    8    7    179.974
  12   13    8    9      0.026
  10   11   14   15      0.026
  12   11   14   15    179.974
   6    1    2    3      0.026