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1017788-63-4 | 1-Piperidinecarboxylic acid, 2-cyano-, phenylmethyl ester
CAS No: 1017788-63-4 Catalog No: AG0005J9 MDL No:MFCD08704536
Product Description
Catalog Number:
AG0005J9
Chemical Name:
1-Piperidinecarboxylic acid, 2-cyano-, phenylmethyl ester
CAS Number:
1017788-63-4
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
MDL Number:
MFCD08704536
IUPAC Name:
benzyl 2-cyanopiperidine-1-carboxylate
InChI:
InChI=1S/C14H16N2O2/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-9,11H2
InChI Key:
NENRYYPPHIHDHC-UHFFFAOYSA-N
SMILES:
N#CC1CCCCN1C(=O)OCc1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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