1-[1-(3-fluoropyridin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol

• ChemBase ID: 551121
• Molecular Formular: C19H23FN2O
• Molecular Mass: 314.3971232
• Monoisotopic Mass: 314.17944159
• SMILES: N1(c2c(F)cncc2)CCC(CC1)C(CCc1ccccc1)O
• Canonical SMILES: OC(C1CCN(CC1)c1ccncc1F)CCc1ccccc1
• InChI: InChI=1S/C19H23FN2O/c20-17-14-21-11-8-18(17)22-12-9-16(10-13-22)19(23)7-6-15-4-2-1-3-5-15/h1-5,8,11,14,16,19,23H,6-7,9-10,12-13H2
• InChIKey: KZLAZNRPXUDHLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(3-fluoropyridin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol
• IUPAC Traditional name: 1-[1-(3-fluoropyridin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol
• Synonyms: 1-[1-(3-fluoro-4-pyridinyl)-4-piperidinyl]-3-phenyl-1-propanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.935228
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.622871
• LogD (pH = 7.4): 3.2675629
• Log P: 3.3024495
• Molar Refractivity: 90.7272 cm^3
• Polarizability: 34.35707 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.46
• LOG S: -4.45
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 5