ethyl 6-(4-methoxyphenyl)piperidine-2-carboxylate

• ChemBase ID: 811711
• Molecular Formular: C15H21NO3
• Molecular Mass: 263.33214
• Monoisotopic Mass: 263.15214354
• SMILES: C1CC(NC(C1)C(=O)OCC)c1ccc(cc1)OC
• Canonical SMILES: CCOC(=O)C1CCCC(N1)c1ccc(cc1)OC
• InChI: InChI=1S/C15H21NO3/c1-3-19-15(17)14-6-4-5-13(16-14)11-7-9-12(18-2)10-8-11/h7-10,13-14,16H,3-6H2,1-2H3
• InChIKey: JKHJXWIIPRBDIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-(4-methoxyphenyl)piperidine-2-carboxylate
• IUPAC Traditional name: ethyl 6-(4-methoxyphenyl)piperidine-2-carboxylate
• Synonyms: ETHYL 6-(4-METHOXYPHENYL)PIPERIDINE-2-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9298192
• LogD (pH = 7.4): 2.4631007
• Log P: 2.4766982
• Molar Refractivity: 72.929 cm^3
• Polarizability: 29.135458 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%