[3-ethyl-1-(2-phenoxyethyl)piperidin-3-yl]methanol

• ChemBase ID: 632740
• Molecular Formular: C16H25NO2
• Molecular Mass: 263.3752
• Monoisotopic Mass: 263.18852905
• SMILES: N1(CC(CO)(CCC1)CC)CCOc1ccccc1
• Canonical SMILES: CCC1(CO)CCCN(C1)CCOc1ccccc1
• InChI: InChI=1S/C16H25NO2/c1-2-16(14-18)9-6-10-17(13-16)11-12-19-15-7-4-3-5-8-15/h3-5,7-8,18H,2,6,9-14H2,1H3
• InChIKey: IZLXUCZUYVIOOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-ethyl-1-(2-phenoxyethyl)piperidin-3-yl]methanol
• IUPAC Traditional name: [3-ethyl-1-(2-phenoxyethyl)piperidin-3-yl]methanol
• Synonyms: [3-ethyl-1-(2-phenoxyethyl)-3-piperidinyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.071749
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5071175
• LogD (pH = 7.4): 1.1619
• Log P: 2.5913563
• Molar Refractivity: 77.9277 cm^3
• Polarizability: 30.845993 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.0
• LOG S: -2.67
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 6