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2-(2-piperidin-2-ylethyl)pyridine
2-(2-piperidin-2-ylethyl)pyridine
ID: BP-11189
CAS:6312-04-5
Supplier:BroadPharm

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SMILES:N1C(CCc2ncccc2)CCCC1	
FORMULA: C12H18N2
MASS: 190.2847
EXACT MASS: 190.1469986
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    5.4501     0.0000 
   C   3    4.3288     1.2543     0.0000 
   C   4    1.2471     4.3330     3.3074     0.0000 
   C   5    3.3055     2.1676     1.2500     2.1654     0.0000 
   C   6    2.1634     3.3109     2.1654     1.2500     1.2507     0.0000 
   C   7    1.2500     6.4964     5.4476     2.1634     4.3288     3.3061 
   C   8    6.4964     1.2500     2.1676     5.4509     3.3088     4.3330 
   C   9    4.5061     2.1708     1.2507     3.7500     2.1654     2.5000 
   C  10    2.1625     4.5081     3.7500     1.2507     2.5000     2.1654 
   C  11    2.1634     6.6163     5.7284     2.5000     4.5071     3.7500 
   C  12    6.6135     2.1676     2.5000     5.7284     3.7500     4.5071 
   C  13    5.7276     2.5050     2.1654     5.0000     3.3074     3.7500 
   C  14    2.4978     5.7292     5.0000     2.1654     3.7500     3.3074 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    7.6045     0.0000 
   C   9    5.7276     2.5050     0.0000 
   C  10    2.4978     5.7292     4.5071     0.0000 
   C  11    1.2471     7.8078     6.2500     2.1654     0.0000 
   C  12    7.8055     1.2543     2.1654     6.2500     8.1969     0.0000 
   C  13    6.9592     2.1708     1.2500     5.7284     7.5000     1.2507 
   C  14    2.1625     6.9605     5.7284     1.2500     1.2507     7.5000 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    6.9598     0.0000 



ATOMIC CHARGES
   N   1   -0.2194527997
   N   2   -0.2481497107
   C   3    0.0590481351
   C   4    0.0731640790
   C   5    0.0472322248
   C   6    0.0236714940
   C   7    0.0886442285
   C   8    0.0984460934
   C   9    0.0147387728
   C  10    0.0174399179
   C  11    0.0188506134
   C  12    0.0206570564
   C  13    0.0028031122
   C  14    0.0029067829


BOND ANGLES
   4    1    7   C3   N3   C3    120.077
   3    2    8  Car  Nar  Car    119.887
   2    3    5  Nar  Car   C3    119.887
   2    3    9  Nar  Car  Car    120.131
   5    3    9   C3  Car  Car    119.982
   1    4    6   N3   C3   C3    120.077
   1    4   10   N3   C3   C3    119.941
   6    4   10   C3   C3   C3    119.982
   3    5    6  Car   C3   C3    119.982
   4    6    5   C3   C3   C3    119.982
   1    7   11   N3   C3   C3    120.077
   2    8   12  Nar  Car  Car    119.887
   3    9   13  Car  Car  Car    119.982
   4   10   14   C3   C3   C3    119.982
   7   11   14   C3   C3   C3    119.941
   8   12   13  Car  Car  Car    120.131
   9   13   12  Car  Car  Car    119.982
  10   14   11   C3   C3   C3    119.982


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


CHIRAL ATOMS
   2    8   12   13      0.026