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2-phenyl-1-piperidin-4-ylethanol
2-phenyl-1-piperidin-4-ylethanol
ID: BP-11206
Supplier:BroadPharm

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SMILES:N1CCC(C(Cc2ccccc2)O)CC1	
FORMULA: C13H19NO
MASS: 205.2961
EXACT MASS: 205.1466642
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    3.7500     0.0000 
   C   3    4.5081     1.2543     0.0000 
   C   4    2.5000     1.2500     2.1676     0.0000 
   C   5    5.7292     2.1676     1.2500     3.3088     0.0000 
   O   6    4.5071     1.2507     2.1708     2.1654     2.5050     0.0000 
   C   7    1.2543     3.3088     3.7500     2.1676     5.0000     4.3330 
   C   8    1.2507     3.3074     4.3330     2.1654     5.4509     3.7500 
   C   9    2.1654     2.1654     3.3109     1.2507     4.3330     2.5000 
   C  10    2.1676     2.1676     2.5000     1.2543     3.7500     3.3109 
   C  11    6.2500     2.5000     2.1676     3.7500     1.2543     2.1654 
   C  12    6.6149     3.3083     2.1634     4.3309     1.2471     3.7521 
   C  13    7.8067     4.3309     3.3061     5.4493     2.1634     4.5087 
   C  14    7.5000     3.7500     3.3088     5.0000     2.1676     3.3074 
   C  15    8.1975     4.5081     3.7500     5.7292     2.5000     4.3330 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.1708     0.0000 
   C   9    2.5050     1.2500     0.0000 
   C  10    1.2500     2.5050     2.1708     0.0000 
   C  11    5.7292     5.7284     4.5071     4.5081     0.0000 
   C  12    5.7276     6.4964     5.4501     4.5061     2.1667     0.0000 
   C  13    6.9592     7.6045     6.4964     5.7276     2.5014     1.2500 
   C  14    6.9605     6.9598     5.7284     5.7292     1.2500     2.5014 
   C  15    7.5000     7.8078     6.6163     6.2500     2.1676     2.1634 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    2.1667     0.0000 
   C  15    1.2471     1.2543     0.0000 



ATOMIC CHARGES
   N   1   -0.2180486752
   C   2    0.1563483602
   C   3    0.0591918734
   C   4    0.0336471644
   C   5   -0.0196385746
   O   6   -0.2227886099
   C   7    0.0887789299
   C   8    0.0887789299
   C   9    0.0213824754
   C  10    0.0213824754
   C  11   -0.0041856478
   C  12   -0.0041856478
   C  13   -0.0003215188
   C  14   -0.0003215188
   C  15   -0.0000200156


BOND ANGLES
   7    1    8   C3   N3   C3    120.131
   3    2    4   C3   C3   C3    119.887
   4    2    6   C3   C3   O3    119.982
   3    2    6   C3   C3   O3    120.131
   2    3    5   C3   C3  Car    119.887
   2    4    9   C3   C3   C3    119.982
   2    4   10   C3   C3   C3    119.887
   9    4   10   C3   C3   C3    120.131
   3    5   11   C3  Car  Car    119.887
   3    5   12   C3  Car  Car    120.077
  11    5   12  Car  Car  Car    120.037
   1    7   10   N3   C3   C3    119.887
   1    8    9   N3   C3   C3    119.982
   4    9    8   C3   C3   C3    119.982
   4   10    7   C3   C3   C3    119.887
   5   11   14  Car  Car  Car    119.887
   5   12   13  Car  Car  Car    120.077
  12   13   15  Car  Car  Car    120.077
  11   14   15  Car  Car  Car    119.887
  13   15   14  Car  Car  Car    120.037


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


CHIRAL ATOMS
  11   14   15   13      0.026