ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate

• ChemBase ID: 125434
• Molecular Formular: C15H20FNO2
• Molecular Mass: 265.3232032
• Monoisotopic Mass: 265.14780711
• SMILES: Fc1ccc(C2(CCN(C)CC2)C(=O)OCC)cc1
• Canonical SMILES: CCOC(=O)C1(CCN(CC1)C)c1ccc(cc1)F
• InChI: InChI=1S/C15H20FNO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
• InChIKey: CHOQGLPFQOQESN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate
• IUPAC Traditional name: 4-fluoropethidine
• Synonyms: 4-Fluoromeperidine; 4-Fluoropethidine; 4-Fluoropethidine

Database IDs

• PubChem SID: 162219784
• PubChem CID: 11184669
• CHEMBL: 112817
• Chemspider ID: 9359754
• Wikipedia Title: 4-Fluoropethidine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.117438
• LogD (pH = 7.4): 1.8831264
• Log P: 2.5985024
• Molar Refractivity: 72.7001 cm^3
• Polarizability: 28.121958 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true