dimethyl(2-{2-[1-(oxane-4-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}ethyl)amine

• ChemBase ID: 480828
• Molecular Formular: C18H30N4O2
• Molecular Mass: 334.4564
• Monoisotopic Mass: 334.23687622
• SMILES: c1(n(ccn1)CCN(C)C)C1CCN(C(=O)C2CCOCC2)CC1
• Canonical SMILES: CN(CCn1ccnc1C1CCN(CC1)C(=O)C1CCOCC1)C
• InChI: InChI=1S/C18H30N4O2/c1-20(2)11-12-21-10-7-19-17(21)15-3-8-22(9-4-15)18(23)16-5-13-24-14-6-16/h7,10,15-16H,3-6,8-9,11-14H2,1-2H3
• InChIKey: BMOQCDAHMRHWAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-{2-[1-(oxane-4-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}ethyl)amine
• IUPAC Traditional name: dimethyl(2-{2-[1-(oxane-4-carbonyl)piperidin-4-yl]imidazol-1-yl}ethyl)amine
• Synonyms: N,N-dimethyl-2-{2-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-4-piperidinyl]-1H-imidazol-1-yl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.1414495
• LogD (pH = 7.4): -1.1765146
• Log P: 0.35468706
• Molar Refractivity: 95.1175 cm^3
• Polarizability: 36.658615 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.19
• LOG S: -3.11
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 5