dimethyl(3-{2-[1-(2-methylpyridin-4-yl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)amine

• ChemBase ID: 692618
• Molecular Formular: C19H29N5
• Molecular Mass: 327.46706
• Monoisotopic Mass: 327.24229595
• SMILES: c1(n(ccn1)CCCN(C)C)C1CCN(c2cc(ncc2)C)CC1
• Canonical SMILES: CN(CCCn1ccnc1C1CCN(CC1)c1ccnc(c1)C)C
• InChI: InChI=1S/C19H29N5/c1-16-15-18(5-8-20-16)23-12-6-17(7-13-23)19-21-9-14-24(19)11-4-10-22(2)3/h5,8-9,14-15,17H,4,6-7,10-13H2,1-3H3
• InChIKey: WGXJXAWMBBPNIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(3-{2-[1-(2-methylpyridin-4-yl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)amine
• IUPAC Traditional name: dimethyl(3-{2-[1-(2-methylpyridin-4-yl)piperidin-4-yl]imidazol-1-yl}propyl)amine
• Synonyms: N,N-dimethyl-3-{2-[1-(2-methylpyridin-4-yl)piperidin-4-yl]-1H-imidazol-1-yl}propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.2472305
• LogD (pH = 7.4): -2.0619414
• Log P: 1.5715647
• Molar Refractivity: 99.8941 cm^3
• Polarizability: 37.79875 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: 1.75
• LOG S: -2.08
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 6