[3-(2-phenylethyl)piperidin-3-yl]methanol

• ChemBase ID: 567348
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: C1(CCc2ccccc2)(CNCCC1)CO
• Canonical SMILES: OCC1(CCCNC1)CCc1ccccc1
• InChI: InChI=1S/C14H21NO/c16-12-14(8-4-10-15-11-14)9-7-13-5-2-1-3-6-13/h1-3,5-6,15-16H,4,7-12H2
• InChIKey: OLNZFCULOMEIII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-phenylethyl)piperidin-3-yl]methanol
• IUPAC Traditional name: [3-(2-phenylethyl)piperidin-3-yl]methanol
• Synonyms: [3-(2-phenylethyl)piperidin-3-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.071173
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0689704
• LogD (pH = 7.4): -0.27043992
• Log P: 2.1426315
• Molar Refractivity: 66.7768 cm^3
• Polarizability: 26.425035 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.29
• LOG S: -1.75
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4