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113385-99-2 | 3-Piperidinecarboxylic acid, 3-ethyl-4-oxo-1-(phenylmethyl)-, ethyl ester
CAS No: 113385-99-2 Catalog No: AG0008E2 MDL No:
Product Description
Catalog Number:
AG0008E2
Chemical Name:
3-Piperidinecarboxylic acid, 3-ethyl-4-oxo-1-(phenylmethyl)-, ethyl ester
CAS Number:
113385-99-2
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
IUPAC Name:
ethyl 1-benzyl-3-ethyl-4-oxopiperidine-3-carboxylate
InChI:
InChI=1S/C17H23NO3/c1-3-17(16(20)21-4-2)13-18(11-10-15(17)19)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChI Key:
HFZATOGOLXZCFF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC)CN(CCC1=O)Cc1ccccc1
Properties
Complexity:
376
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.375g/mol
Monoisotopic Mass:
289.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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