(5-{[2-(2-methoxyethyl)piperidin-1-yl]methyl}furan-2-yl)methanol

• ChemBase ID: 794655
• Molecular Formular: C14H23NO3
• Molecular Mass: 253.33732
• Monoisotopic Mass: 253.1677936
• SMILES: N1(Cc2oc(cc2)CO)C(CCOC)CCCC1
• Canonical SMILES: COCCC1CCCCN1Cc1ccc(o1)CO
• InChI: InChI=1S/C14H23NO3/c1-17-9-7-12-4-2-3-8-15(12)10-13-5-6-14(11-16)18-13/h5-6,12,16H,2-4,7-11H2,1H3
• InChIKey: WNXNOZVABWLBHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{[2-(2-methoxyethyl)piperidin-1-yl]methyl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{[2-(2-methoxyethyl)piperidin-1-yl]methyl}furan-2-yl)methanol
• Synonyms: (5-{[2-(2-methoxyethyl)piperidin-1-yl]methyl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.726012
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0595288
• LogD (pH = 7.4): -0.39748704
• Log P: 1.050658
• Molar Refractivity: 71.4061 cm^3
• Polarizability: 27.712942 Å^3
• Polar Surface Area: 45.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.51
• LOG S: -1.33
• Polar Surface Area: 45.84 Å^2
• Rotatable Bonds: 6