1-cyclobutanecarbonyl-4-(2-methoxyphenyl)piperidine

• ChemBase ID: 82073
• Molecular Formular: C17H23NO2
• Molecular Mass: 273.37002
• Monoisotopic Mass: 273.17287898
• SMILES: N1(C(=O)C2CCC2)CCC(c2ccccc2OC)CC1
• Canonical SMILES: COc1ccccc1C1CCN(CC1)C(=O)C1CCC1
• InChI: InChI=1S/C17H23NO2/c1-20-16-8-3-2-7-15(16)13-9-11-18(12-10-13)17(19)14-5-4-6-14/h2-3,7-8,13-14H,4-6,9-12H2,1H3
• InChIKey: QTCJMGOUQOSHRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutanecarbonyl-4-(2-methoxyphenyl)piperidine
• IUPAC Traditional name: 1-cyclobutanecarbonyl-4-(2-methoxyphenyl)piperidine
• Synonyms: cyclobutyl[4-(2-methoxyphenyl)piperidino]methanone

Database IDs

• MDL Number: MFCD00830654
• PubChem SID: 162069192
• PubChem CID: 2778070

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7549443
• LogD (pH = 7.4): 2.7549467
• Log P: 2.7549467
• Molar Refractivity: 79.5083 cm^3
• Polarizability: 31.01016 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true