N-(3,4-difluorophenyl)-1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}piperidin-3-amine

• ChemBase ID: 762318
• Molecular Formular: C18H24F2N4O
• Molecular Mass: 350.4061664
• Monoisotopic Mass: 350.19181785
• SMILES: c1(n(cnc1)CCOC)CN1CC(Nc2cc(c(cc2)F)F)CCC1
• Canonical SMILES: COCCn1cncc1CN1CCCC(C1)Nc1ccc(c(c1)F)F
• InChI: InChI=1S/C18H24F2N4O/c1-25-8-7-24-13-21-10-16(24)12-23-6-2-3-15(11-23)22-14-4-5-17(19)18(20)9-14/h4-5,9-10,13,15,22H,2-3,6-8,11-12H2,1H3
• InChIKey: VMDIUDQOWVQZTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-difluorophenyl)-1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}piperidin-3-amine
• IUPAC Traditional name: N-(3,4-difluorophenyl)-1-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}piperidin-3-amine
• Synonyms: N-(3,4-difluorophenyl)-1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.040134046
• LogD (pH = 7.4): 1.4849489
• Log P: 1.9183416
• Molar Refractivity: 95.3 cm^3
• Polarizability: 35.22334 Å^3
• Polar Surface Area: 42.32 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: 1.69
• LOG S: -2.19
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 7