Compound 12
  CDK     0517191930

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046    0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4091    0.0129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6981    1.2411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4027   -0.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0194    1.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4027    1.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1072   -1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6852   -1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0258    2.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7369    1.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3962    2.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007   -2.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6787    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4544    1.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719    1.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8 13  1  0  0  0  0 
 10 14  1  0  0  0  0 
 11 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 12 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:143733

> <NAME>
butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate

> <STAR>
2

> <FORMULA>
C12H23NO3

> <MASS>
229.316

> <MONOISOTOPIC_MASS>
229.168

> <CHARGE>
0

> <SMILES>
O=C(OC(CC)C)N1C(CCCC1)CCO

> <INCHI>
InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3

> <INCHIKEY>
QLHULAHOXSSASE-UHFFFAOYSA-N

$$$$