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

• ChemBase ID: 591064
• Molecular Formular: C18H26FN5
• Molecular Mass: 331.4309432
• Monoisotopic Mass: 331.21722408
• SMILES: c1(C2CN(c3ncccc3F)CCC2)n(ccn1)CCCN(C)C
• Canonical SMILES: CN(CCCn1ccnc1C1CCCN(C1)c1ncccc1F)C
• InChI: InChI=1S/C18H26FN5/c1-22(2)10-5-12-23-13-9-21-17(23)15-6-4-11-24(14-15)18-16(19)7-3-8-20-18/h3,7-9,13,15H,4-6,10-12,14H2,1-2H3
• InChIKey: IAMBVESDPADCPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{2-[1-(3-fluoropyridin-2-yl)piperidin-3-yl]-1H-imidazol-1-yl}propyl)dimethylamine
• IUPAC Traditional name: (3-{2-[1-(3-fluoropyridin-2-yl)piperidin-3-yl]imidazol-1-yl}propyl)dimethylamine
• Synonyms: (3-{2-[1-(3-fluoropyridin-2-yl)piperidin-3-yl]-1H-imidazol-1-yl}propyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.027579
• LogD (pH = 7.4): -0.019803012
• Log P: 2.3332615
• Molar Refractivity: 95.6785 cm^3
• Polarizability: 35.690685 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.74
• LOG S: -2.1
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 6