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1256340-93-8 | 4-Piperidinecarboxylic acid, 1-methyl-4-(2-naphthalenyl)-, (3,4-dichlorophenyl)methyl ester
CAS No: 1256340-93-8 Catalog No: AG000NZ8 MDL No:
Product Description
Catalog Number:
AG000NZ8
Chemical Name:
4-Piperidinecarboxylic acid, 1-methyl-4-(2-naphthalenyl)-, (3,4-dichlorophenyl)methyl ester
CAS Number:
1256340-93-8
Molecular Formula:
C24H23Cl2NO2
Molecular Weight:
428.3509
IUPAC Name:
(3,4-dichlorophenyl)methyl 1-methyl-4-naphthalen-2-ylpiperidine-4-carboxylate
InChI:
InChI=1S/C24H23Cl2NO2/c1-27-12-10-24(11-13-27,20-8-7-18-4-2-3-5-19(18)15-20)23(28)29-16-17-6-9-21(25)22(26)14-17/h2-9,14-15H,10-13,16H2,1H3
InChI Key:
DWKVFHOVQHKHFM-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)(C(=O)OCc1ccc(c(c1)Cl)Cl)c1ccc2c(c1)cccc2
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.111g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.353g/mol
Monoisotopic Mass:
427.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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