[3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol

• ChemBase ID: 317613
• Molecular Formular: C18H29NO2
• Molecular Mass: 291.42836
• Monoisotopic Mass: 291.21982917
• SMILES: N1(CC(CO)(CCC1)CCCOC)CCc1ccccc1
• Canonical SMILES: COCCCC1(CO)CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C18H29NO2/c1-21-14-6-11-18(16-20)10-5-12-19(15-18)13-9-17-7-3-2-4-8-17/h2-4,7-8,20H,5-6,9-16H2,1H3
• InChIKey: IWJNSUGYSXTJAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.071163
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.70559525
• LogD (pH = 7.4): 0.7380348
• Log P: 2.6114576
• Molar Refractivity: 88.024 cm^3
• Polarizability: 34.472233 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.29
• LOG S: -2.27
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 8