N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylcyclobutanamine

• ChemBase ID: 569149
• Molecular Formular: C19H29FN2
• Molecular Mass: 304.4453632
• Monoisotopic Mass: 304.23147716
• SMILES: N1(CCc2ccc(F)cc2)CCC(CN(C2CCC2)C)CC1
• Canonical SMILES: CN(C1CCC1)CC1CCN(CC1)CCc1ccc(cc1)F
• InChI: InChI=1S/C19H29FN2/c1-21(19-3-2-4-19)15-17-10-13-22(14-11-17)12-9-16-5-7-18(20)8-6-16/h5-8,17,19H,2-4,9-15H2,1H3
• InChIKey: AALORYSEVYPOEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylcyclobutanamine
• IUPAC Traditional name: N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylcyclobutanamine
• Synonyms: N-({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methylcyclobutanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.0317588
• LogD (pH = 7.4): -1.0019667
• Log P: 3.7435458
• Molar Refractivity: 91.6534 cm^3
• Polarizability: 35.443798 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.68
• LOG S: -2.88
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6