4-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylpiperidin-4-ol

• ChemBase ID: 604310
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: N1(C(=O)C2(CCN(CC2)C)O)CC(c2ncc[nH]2)CCC1
• Canonical SMILES: CN1CCC(CC1)(O)C(=O)N1CCCC(C1)c1ncc[nH]1
• InChI: InChI=1S/C15H24N4O2/c1-18-9-4-15(21,5-10-18)14(20)19-8-2-3-12(11-19)13-16-6-7-17-13/h6-7,12,21H,2-5,8-11H2,1H3,(H,16,17)
• InChIKey: FVWCPUDAKDAWPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylpiperidin-4-ol
• IUPAC Traditional name: 4-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylpiperidin-4-ol
• Synonyms: 4-{[3-(1H-imidazol-2-yl)piperidin-1-yl]carbonyl}-1-methylpiperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.491231
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.155337
• LogD (pH = 7.4): -1.6687043
• Log P: -0.7150266
• Molar Refractivity: 80.4901 cm^3
• Polarizability: 31.153708 Å^3
• Polar Surface Area: 72.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.85
• LOG S: -1.92
• Polar Surface Area: 72.46 Å^2
• Rotatable Bonds: 2