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86487-58-3 | 1-Piperidinecarboxylic acid, 4-(4-fluorobenzoyl)-4-phenyl-, ethyl ester
CAS No: 86487-58-3 Catalog No: AG004Q88 MDL No:
Product Description
Catalog Number:
AG004Q88
Chemical Name:
1-Piperidinecarboxylic acid, 4-(4-fluorobenzoyl)-4-phenyl-, ethyl ester
CAS Number:
86487-58-3
Molecular Formula:
C21H22FNO3
Molecular Weight:
355.4027
IUPAC Name:
ethyl 4-(4-fluorobenzoyl)-4-phenylpiperidine-1-carboxylate
InChI:
InChI=1S/C21H22FNO3/c1-2-26-20(25)23-14-12-21(13-15-23,17-6-4-3-5-7-17)19(24)16-8-10-18(22)11-9-16/h3-11H,2,12-15H2,1H3
InChI Key:
KENHGWDXRVMFQQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(CC1)(c1ccccc1)C(=O)c1ccc(cc1)F
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.409g/mol
Monoisotopic Mass:
355.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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