[4-(2-phenoxyethyl)piperidin-4-yl]methanol

• ChemBase ID: 329621
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: N1CCC(CO)(CCOc2ccccc2)CC1
• Canonical SMILES: OCC1(CCOc2ccccc2)CCNCC1
• InChI: InChI=1S/C14H21NO2/c16-12-14(6-9-15-10-7-14)8-11-17-13-4-2-1-3-5-13/h1-5,15-16H,6-12H2
• InChIKey: GZCWNWBLSQNZPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(2-phenoxyethyl)piperidin-4-yl]methanol
• IUPAC Traditional name: [4-(2-phenoxyethyl)piperidin-4-yl]methanol
• Synonyms: [4-(2-phenoxyethyl)piperidin-4-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.101804
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9140223
• LogD (pH = 7.4): -1.224276
• Log P: 1.3058244
• Molar Refractivity: 68.4234 cm^3
• Polarizability: 27.157593 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.78
• LOG S: -1.43
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 5