4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester

HCID 16749

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Basic information

CAS: 2260-45-9
Standard SMILES: CCOC(=O)C1(c2ccccc2)CCN(CCCC2CCCO2)CC1
InChIKey: QHDJAMFGKRJOLY-UHFFFAOYSA-N
Molecular formula: C21H31NO3
Average molar mass: 345.5 g/mol
Monoisotopic mass: 345.23039385

Names & identifiers

Preferred name: 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester
IUPAC: ethyl 1-[3-(oxolan-2-yl)propyl]-4-phenylpiperidine-4-carboxylate

Names & synonyms

2260-45-94-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl esterTA 98BRN 0439755ethyl 1-[3-(oxolan-2-yl)propyl]-4-phenylpiperidine-4-carboxylate4-Piperidinecarboxylic acid, 4-phenyl-1-(3-(tetrahydro-2-furanyl)propyl)-, ethyl esterISONIPECOTIC ACID, 4-PHENYL-1-(3-(TETRAHYDRO-2-FURYL)PROPYL)-, ETHYL ESTERDTXSID30945258

Database identifiers

CAS: 2260-45-9
PubChem CID: 16749
DTXSID: DTXSID30945258

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 411

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