1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-fluorophenyl)propyl]piperidin-4-amine

• ChemBase ID: 616463
• Molecular Formular: C21H29FN4
• Molecular Mass: 356.4801632
• Monoisotopic Mass: 356.23762517
• SMILES: c1(nc(ncc1CC)C)N1CCC(CC1)NCCCc1ccc(F)cc1
• Canonical SMILES: CCc1cnc(nc1N1CCC(CC1)NCCCc1ccc(cc1)F)C
• InChI: InChI=1S/C21H29FN4/c1-3-18-15-24-16(2)25-21(18)26-13-10-20(11-14-26)23-12-4-5-17-6-8-19(22)9-7-17/h6-9,15,20,23H,3-5,10-14H2,1-2H3
• InChIKey: YVOKYTRHTAMMLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-fluorophenyl)propyl]piperidin-4-amine
• IUPAC Traditional name: 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-fluorophenyl)propyl]piperidin-4-amine
• Synonyms: 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-fluorophenyl)propyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4908878
• LogD (pH = 7.4): 1.7101825
• Log P: 4.497106
• Molar Refractivity: 106.0724 cm^3
• Polarizability: 39.74131 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.25
• LOG S: -3.57
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 7