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1256340-91-6 | 4-Piperidinecarboxylic acid, 1-methyl-4-(2-naphthalenyl)-, (4-methoxyphenyl)methyl ester
CAS No: 1256340-91-6 Catalog No: AG000NZ9 MDL No:
Product Description
Catalog Number:
AG000NZ9
Chemical Name:
4-Piperidinecarboxylic acid, 1-methyl-4-(2-naphthalenyl)-, (4-methoxyphenyl)methyl ester
CAS Number:
1256340-91-6
Molecular Formula:
C25H27NO3
Molecular Weight:
389.4868
IUPAC Name:
(4-methoxyphenyl)methyl 1-methyl-4-naphthalen-2-ylpiperidine-4-carboxylate
InChI:
InChI=1S/C25H27NO3/c1-26-15-13-25(14-16-26,22-10-9-20-5-3-4-6-21(20)17-22)24(27)29-18-19-7-11-23(28-2)12-8-19/h3-12,17H,13-16,18H2,1-2H3
InChI Key:
QEFBBQCOLUZNFF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COC(=O)C1(CCN(CC1)C)c1ccc2c(c1)cccc2
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.199g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.495g/mol
Monoisotopic Mass:
389.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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