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

• ChemBase ID: 497576
• Molecular Formular: C17H25N5
• Molecular Mass: 299.4139
• Monoisotopic Mass: 299.21099583
• SMILES: c1(C2CN(c3ncccc3)CCC2)n(ccn1)CCN(C)C
• Canonical SMILES: CN(CCn1ccnc1C1CCCN(C1)c1ccccn1)C
• InChI: InChI=1S/C17H25N5/c1-20(2)12-13-21-11-9-19-17(21)15-6-5-10-22(14-15)16-7-3-4-8-18-16/h3-4,7-9,11,15H,5-6,10,12-14H2,1-2H3
• InChIKey: IJVREDNVAUXASY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-{2-[1-(pyridin-2-yl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)amine
• IUPAC Traditional name: dimethyl(2-{2-[1-(pyridin-2-yl)piperidin-3-yl]imidazol-1-yl}ethyl)amine
• Synonyms: N,N-dimethyl-2-{2-[1-(2-pyridinyl)-3-piperidinyl]-1H-imidazol-1-yl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4976144
• LogD (pH = 7.4): 0.49762142
• Log P: 2.1305997
• Molar Refractivity: 90.5967 cm^3
• Polarizability: 34.192757 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: 1.17
• LOG S: -1.38
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 5