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1261230-56-1 | 4-Piperidinecarboxylic acid, 1-[(4-fluorophenyl)methyl]-, (4-fluorophenyl)methyl ester
CAS No: 1261230-56-1 Catalog No: AG000RNR MDL No:
Product Description
Catalog Number:
AG000RNR
Chemical Name:
4-Piperidinecarboxylic acid, 1-[(4-fluorophenyl)methyl]-, (4-fluorophenyl)methyl ester
CAS Number:
1261230-56-1
Molecular Formula:
C20H21F2NO2
Molecular Weight:
345.3830
IUPAC Name:
(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate
InChI:
InChI=1S/C20H21F2NO2/c21-18-5-1-15(2-6-18)13-23-11-9-17(10-12-23)20(24)25-14-16-3-7-19(22)8-4-16/h1-8,17H,9-14H2
InChI Key:
VFZJDZYBHCPUPC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)COC(=O)C1CCN(CC1)Cc1ccc(cc1)F
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.154g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.39g/mol
Monoisotopic Mass:
345.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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