(2-{2-[1-(3-fluoropyridin-4-yl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)dimethylamine

• ChemBase ID: 634108
• Molecular Formular: C17H24FN5
• Molecular Mass: 317.4043632
• Monoisotopic Mass: 317.20157401
• SMILES: c1(C2CN(c3c(F)cncc3)CCC2)n(ccn1)CCN(C)C
• Canonical SMILES: CN(CCn1ccnc1C1CCCN(C1)c1ccncc1F)C
• InChI: InChI=1S/C17H24FN5/c1-21(2)10-11-22-9-7-20-17(22)14-4-3-8-23(13-14)16-5-6-19-12-15(16)18/h5-7,9,12,14H,3-4,8,10-11,13H2,1-2H3
• InChIKey: VIZHIXJJZGACHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2-[1-(3-fluoropyridin-4-yl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
• IUPAC Traditional name: (2-{2-[1-(3-fluoropyridin-4-yl)piperidin-3-yl]imidazol-1-yl}ethyl)dimethylamine
• Synonyms: (2-{2-[1-(3-fluoro-4-pyridinyl)-3-piperidinyl]-1H-imidazol-1-yl}ethyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.746494
• LogD (pH = 7.4): 0.05509848
• Log P: 1.6788441
• Molar Refractivity: 90.4996 cm^3
• Polarizability: 33.848156 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.45
• LOG S: -1.75
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 5