1-[3-(furan-2-yl)propyl]-4-phenylpiperidin-4-ol

• ChemBase ID: 496504
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: C1(CCN(CC1)CCCc1occc1)(c1ccccc1)O
• Canonical SMILES: OC1(CCN(CC1)CCCc1ccco1)c1ccccc1
• InChI: InChI=1S/C18H23NO2/c20-18(16-6-2-1-3-7-16)10-13-19(14-11-18)12-4-8-17-9-5-15-21-17/h1-3,5-7,9,15,20H,4,8,10-14H2
• InChIKey: RMSALKCONQJAGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(furan-2-yl)propyl]-4-phenylpiperidin-4-ol
• IUPAC Traditional name: 1-[3-(furan-2-yl)propyl]-4-phenylpiperidin-4-ol
• Synonyms: 1-[3-(2-furyl)propyl]-4-phenyl-4-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.999171
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.528456
• LogD (pH = 7.4): 1.1673267
• Log P: 2.518513
• Molar Refractivity: 84.7281 cm^3
• Polarizability: 32.861393 Å^3
• Polar Surface Area: 36.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.63
• LOG S: -3.42
• Polar Surface Area: 36.61 Å^2
• Rotatable Bonds: 5