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1260758-00-6 | 1-Piperidinecarboxylic acid, 3-(cyclopropylmethyl)-4-oxo-, phenylmethyl ester
CAS No: 1260758-00-6 Catalog No: AG000R3J MDL No:
Product Description
Catalog Number:
AG000R3J
Chemical Name:
1-Piperidinecarboxylic acid, 3-(cyclopropylmethyl)-4-oxo-, phenylmethyl ester
CAS Number:
1260758-00-6
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
IUPAC Name:
benzyl 3-(cyclopropylmethyl)-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C17H21NO3/c19-16-8-9-18(11-15(16)10-13-6-7-13)17(20)21-12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2
InChI Key:
YNSSPWBCYVYFMQ-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1CC1CC1)C(=O)OCc1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.359g/mol
Monoisotopic Mass:
287.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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