4-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}-1-methylpiperidine

• ChemBase ID: 663837
• Molecular Formular: C19H29FN2
• Molecular Mass: 304.4453632
• Monoisotopic Mass: 304.23147716
• SMILES: N1(C2CCN(CC2)C)CC(CCc2ccc(F)cc2)CCC1
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)CCc1ccc(cc1)F
• InChI: InChI=1S/C19H29FN2/c1-21-13-10-19(11-14-21)22-12-2-3-17(15-22)5-4-16-6-8-18(20)9-7-16/h6-9,17,19H,2-5,10-15H2,1H3
• InChIKey: JVKARXORRLXDAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}-1-methylpiperidine
• IUPAC Traditional name: 4-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}-1-methylpiperidine
• Synonyms: 3-[2-(4-fluorophenyl)ethyl]-1'-methyl-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5545112
• LogD (pH = 7.4): 0.32697007
• Log P: 3.5979578
• Molar Refractivity: 91.5662 cm^3
• Polarizability: 35.444637 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.44
• LOG S: -4.2
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4