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864685-19-8 | 3-Piperidinecarboxylicacid, 3-(2,2-difluoroethyl)-4-oxo-1-(phenylmethyl)-, ethyl ester
CAS No: 864685-19-8 Catalog No: AG004QPZ MDL No:
Product Description
Catalog Number:
AG004QPZ
Chemical Name:
3-Piperidinecarboxylicacid, 3-(2,2-difluoroethyl)-4-oxo-1-(phenylmethyl)-, ethyl ester
CAS Number:
864685-19-8
Molecular Formula:
C17H21F2NO3
Molecular Weight:
325.3503
IUPAC Name:
ethyl 1-benzyl-3-(2,2-difluoroethyl)-4-oxopiperidine-3-carboxylate
InChI:
InChI=1S/C17H21F2NO3/c1-2-23-16(22)17(10-15(18)19)12-20(9-8-14(17)21)11-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3
InChI Key:
BTTAIUJHCWZCRA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC(F)F)CN(CCC1=O)Cc1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.149g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.356g/mol
Monoisotopic Mass:
325.149g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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