(3-{4-[(5-ethylpyridin-2-yl)methyl]piperazin-1-yl}propyl)dimethylamine

• ChemBase ID: 653898
• Molecular Formular: C17H30N4
• Molecular Mass: 290.4469
• Monoisotopic Mass: 290.24704698
• SMILES: N1(Cc2ncc(cc2)CC)CCN(CC1)CCCN(C)C
• Canonical SMILES: CCc1ccc(nc1)CN1CCN(CC1)CCCN(C)C
• InChI: InChI=1S/C17H30N4/c1-4-16-6-7-17(18-14-16)15-21-12-10-20(11-13-21)9-5-8-19(2)3/h6-7,14H,4-5,8-13,15H2,1-3H3
• InChIKey: HRJQJOUPSLRFGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{4-[(5-ethylpyridin-2-yl)methyl]piperazin-1-yl}propyl)dimethylamine
• IUPAC Traditional name: (3-{4-[(5-ethylpyridin-2-yl)methyl]piperazin-1-yl}propyl)dimethylamine
• Synonyms: (3-{4-[(5-ethylpyridin-2-yl)methyl]piperazin-1-yl}propyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.1195579
• LogD (pH = 7.4): -0.72771645
• Log P: 1.662156
• Molar Refractivity: 90.4984 cm^3
• Polarizability: 35.335426 Å^3
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.79
• LOG S: 0.32
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 7