{2-[(4-methylpiperidin-1-yl)methyl]phenyl}methanol

• ChemBase ID: 306512
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: N1(Cc2c(CO)cccc2)CCC(CC1)C
• Canonical SMILES: OCc1ccccc1CN1CCC(CC1)C
• InChI: InChI=1S/C14H21NO/c1-12-6-8-15(9-7-12)10-13-4-2-3-5-14(13)11-16/h2-5,12,16H,6-11H2,1H3
• InChIKey: IOAGTZPXEQXRAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(4-methylpiperidin-1-yl)methyl]phenyl}methanol
• IUPAC Traditional name: {2-[(4-methylpiperidin-1-yl)methyl]phenyl}methanol
• Synonyms: {2-[(4-methylpiperidin-1-yl)methyl]phenyl}methanol

Database IDs

• MDL Number: MFCD03211260

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9585067
• LogD (pH = 7.4): 0.5911291
• Log P: 2.284678
• Molar Refractivity: 68.1072 cm^3
• Polarizability: 26.494133 Å^3
• Polar Surface Area: 23.47 Å^2