Basic information
- Standard SMILES
C=CCC1(C(=O)OC)CN(Cc2ccccc2Cl)CCC1=O- InChIKey
DLGXNFHLDUFYKB-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO3
- Average molar mass
- 321.8 g/mol
Names & identifiers
- Preferred name
- Methyl-1-[(2-chlorophenyl)methyl]-4-oxo-3-(2-propenyl)-3-piperidine carboxylate
- IUPAC
- methyl 1-[(2-chlorophenyl)methyl]-4-oxo-3-prop-2-enylpiperidine-3-carboxylate
Names & synonyms
SCHEMBL9202194DLGXNFHLDUFYKB-UHFFFAOYSA-Nmethyl-1-[(2-chlorophenyl)methyl]-4-oxo-3-(2-propenyl)-3-piperidine carboxylate
Database identifiers
- PubChem CID
- 20071978
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Related reactions
4 records
Compound notes
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