2-{2-[2-(4-fluorophenyl)piperidin-1-yl]ethoxy}ethan-1-ol

• ChemBase ID: 717213
• Molecular Formular: C15H22FNO2
• Molecular Mass: 267.3390832
• Monoisotopic Mass: 267.16345717
• SMILES: N1(C(c2ccc(cc2)F)CCCC1)CCOCCO
• Canonical SMILES: OCCOCCN1CCCCC1c1ccc(cc1)F
• InChI: InChI=1S/C15H22FNO2/c16-14-6-4-13(5-7-14)15-3-1-2-8-17(15)9-11-19-12-10-18/h4-7,15,18H,1-3,8-12H2
• InChIKey: FXAZRKADUPXJNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(4-fluorophenyl)piperidin-1-yl]ethoxy}ethan-1-ol
• IUPAC Traditional name: 2-{2-[2-(4-fluorophenyl)piperidin-1-yl]ethoxy}ethanol
• Synonyms: 2-{2-[2-(4-fluorophenyl)-1-piperidinyl]ethoxy}ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.121228
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.43810806
• LogD (pH = 7.4): 1.3356829
• Log P: 2.2304
• Molar Refractivity: 73.9651 cm^3
• Polarizability: 28.665688 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: 1.91
• LOG S: -1.77
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 6