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

• ChemBase ID: 700215
• Molecular Formular: C17H26N6
• Molecular Mass: 314.42854
• Monoisotopic Mass: 314.22189486
• SMILES: c1(C2CN(c3nccnc3)CCC2)n(ccn1)CCCN(C)C
• Canonical SMILES: CN(CCCn1ccnc1C1CCCN(C1)c1cnccn1)C
• InChI: InChI=1S/C17H26N6/c1-21(2)9-4-11-22-12-8-20-17(22)15-5-3-10-23(14-15)16-13-18-6-7-19-16/h6-8,12-13,15H,3-5,9-11,14H2,1-2H3
• InChIKey: JULBVUOVCBOVMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.3712413
• LogD (pH = 7.4): -1.3799635
• Log P: 0.97288704
• Molar Refractivity: 93.3052 cm^3
• Polarizability: 35.136562 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.81
• LOG S: -1.18
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 6