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1404055-13-5

1404055-13-5 | 4-Piperidinecarboxylic acid, 1-methyl-, bis(3-fluorophenyl)methyl ester

CAS No: 1404055-13-5 Catalog No: AG001CD7 MDL No:

Product Description

Catalog Number:
AG001CD7
Chemical Name:
4-Piperidinecarboxylic acid, 1-methyl-, bis(3-fluorophenyl)methyl ester
CAS Number:
1404055-13-5
Molecular Formula:
C20H21F2NO2
Molecular Weight:
345.3830
IUPAC Name:
bis(3-fluorophenyl)methyl 1-methylpiperidine-4-carboxylate
InChI:
InChI=1S/C20H21F2NO2/c1-23-10-8-14(9-11-23)20(24)25-19(15-4-2-6-17(21)12-15)16-5-3-7-18(22)13-16/h2-7,12-14,19H,8-11H2,1H3
InChI Key:
OPSWFVGXYBXHPU-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)C(=O)OC(c1cccc(c1)F)c1cccc(c1)F

Properties

Complexity:
417  
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:
5  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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