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91599-82-5

91599-82-5 | Butanoic acid, 3-oxo-, 3-methyl-1-(phenylmethyl)-4-piperidinyl ester

CAS No: 91599-82-5 Catalog No: AG006FVP MDL No:

Product Description

Catalog Number:
AG006FVP
Chemical Name:
Butanoic acid, 3-oxo-, 3-methyl-1-(phenylmethyl)-4-piperidinyl ester
CAS Number:
91599-82-5
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
IUPAC Name:
(1-benzyl-3-methylpiperidin-4-yl) 3-oxobutanoate
InChI:
InChI=1S/C17H23NO3/c1-13-11-18(12-15-6-4-3-5-7-15)9-8-16(13)21-17(20)10-14(2)19/h3-7,13,16H,8-12H2,1-2H3
InChI Key:
NEGIUKBWXKQYSV-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)OC1CCN(CC1C)Cc1ccccc1

Properties

Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.168g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.375g/mol
Monoisotopic Mass:
289.168g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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