4-[(2-fluorophenyl)methyl]-1-[2-(piperidin-1-yl)ethyl]piperidine

• ChemBase ID: 697702
• Molecular Formular: C19H29FN2
• Molecular Mass: 304.4453632
• Monoisotopic Mass: 304.23147716
• SMILES: N1(CCN2CCCCC2)CCC(Cc2c(F)cccc2)CC1
• Canonical SMILES: Fc1ccccc1CC1CCN(CC1)CCN1CCCCC1
• InChI: InChI=1S/C19H29FN2/c20-19-7-3-2-6-18(19)16-17-8-12-22(13-9-17)15-14-21-10-4-1-5-11-21/h2-3,6-7,17H,1,4-5,8-16H2
• InChIKey: PGPRWVXYQNHMCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-fluorophenyl)methyl]-1-[2-(piperidin-1-yl)ethyl]piperidine
• IUPAC Traditional name: 4-[(2-fluorophenyl)methyl]-1-[2-(piperidin-1-yl)ethyl]piperidine
• Synonyms: 4-(2-fluorobenzyl)-1-[2-(1-piperidinyl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.023923306
• LogD (pH = 7.4): 1.6153003
• Log P: 3.91764
• Molar Refractivity: 91.7522 cm^3
• Polarizability: 35.446255 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.98
• LOG S: -2.65
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5