3-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, ethyl ester

HCID 42147

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Basic information

CAS: 61209-79-8
Standard SMILES: CCOC(=O)C1CN(C)CCC1c1ccccc1
InChIKey: CLMNEAMDXCDEGQ-UHFFFAOYSA-N
Molecular formula: C15H21NO2
Average molar mass: 247.33 g/mol
Monoisotopic mass: 247.15722891

Names & identifiers

Preferred name: 3-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, ethyl ester
IUPAC: ethyl 1-methyl-4-phenylpiperidine-3-carboxylate

Names & synonyms

61209-79-83-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, ethyl esterDTXSID50275443RefChem:281899DTXCID20226886ethyl 1-methyl-4-phenylpiperidine-3-carboxylate

Database identifiers

CAS: 61209-79-8
PubChem CID: 42147
DTXSID: DTXSID50275443

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 274

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