23016570
  CDK     0416232200

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.3645    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 11  1  0  0  0  0 
  2 13  2  0  0  0  0 
  3 14  3  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
 10 12  2  0  0  0  0 
 11 14  1  0  0  0  0 
 12 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:195079

> <NAME>
3-Piperidin-1-ylpyridine-2-carbonitrile

> <STAR>
2

> <IUPAC_NAME>
3-piperidin-1-ylpyridine-2-carbonitrile

> <FORMULA>
C11H13N3

> <MASS>
187.246

> <MONOISOTOPIC_MASS>
187.11095

> <CHARGE>
0

> <SMILES>
N1(CCCCC1)C=2C=CC=NC2C#N

> <INCHI>
InChI=1S/C11H13N3/c12-9-10-11(5-4-6-13-10)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2

> <INCHIKEY>
IUXFRKMLWJPBRT-UHFFFAOYSA-N

$$$$