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116140-26-2 | 3-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester, (3R,4R)-rel-
CAS No: 116140-26-2 Catalog No: AG000BQ6 MDL No:
Product Description
Catalog Number:
AG000BQ6
Chemical Name:
3-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester, (3R,4R)-rel-
CAS Number:
116140-26-2
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
ethyl 4-phenylpiperidine-3-carboxylate
InChI:
InChI=1S/C14H19NO2/c1-2-17-14(16)13-10-15-9-8-12(13)11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3
InChI Key:
KKESSUGZTMZMJU-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@H]1CNCC[C@H]1c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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