Molecule ID: 18996

IUPAC Name: 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate

Description: The molecule is a member of the class of piperidines that is 2-methylpiperidine in which the hydrogen attached to the nitrogen is replaced by a 3-[(3,4-dichlorobenzoyl)oxy]propyl group. It is a member of piperidines, a tertiary amino compound, a benzoate ester and a dichlorobenzene. It derives from a 3,4-dichlorobenzoic acid.

SMILES: CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1

SELFIES: [C][C][C][C][C][C][N][Ring1][=Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]

InChI: InChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 4.7