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1245645-34-4 | 1-Piperidinecarboxylic acid, 2-(1,1-dimethylethyl)-4-oxo-, phenylmethyl ester
CAS No: 1245645-34-4 Catalog No: AG000M9H MDL No:
Product Description
Catalog Number:
AG000M9H
Chemical Name:
1-Piperidinecarboxylic acid, 2-(1,1-dimethylethyl)-4-oxo-, phenylmethyl ester
CAS Number:
1245645-34-4
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
IUPAC Name:
benzyl 2-tert-butyl-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C17H23NO3/c1-17(2,3)15-11-14(19)9-10-18(15)16(20)21-12-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3
InChI Key:
NJSNHHDJPWHGLO-UHFFFAOYSA-N
SMILES:
O=C1CCN(C(C1)C(C)(C)C)C(=O)OCc1ccccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.375g/mol
Monoisotopic Mass:
289.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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