737325
  CDK     1105211251

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.0930   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0 
  2 15  2  0  0  0  0 
  3  7  1  0  0  0  0 
  3  8  1  0  0  0  0 
  3  9  1  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 
 10 15  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 14  2  0  0  0  0 
M  END
> <ID>
CHEBI:183439

> <NAME>
2-piperidinobenzoic acid

> <STAR>
2

> <IUPAC_NAME>
2-piperidin-1-ylbenzoic acid

> <FORMULA>
C12H15NO2

> <MASS>
205.257

> <MONOISOTOPIC_MASS>
205.11028

> <CHARGE>
0

> <SMILES>
OC(=O)C=1C(N2CCCCC2)=CC=CC1

> <INCHI>
InChI=1S/C12H15NO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)

> <INCHIKEY>
TVEAZHOLMPKUGM-UHFFFAOYSA-N

$$$$