4-{2-[4-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl}morpholine

• ChemBase ID: 861280
• Molecular Formular: C15H26N4O
• Molecular Mass: 278.39314
• Monoisotopic Mass: 278.21066147
• SMILES: c1(n(ccn1)C)C1CCN(CC1)CCN1CCOCC1
• Canonical SMILES: Cn1ccnc1C1CCN(CC1)CCN1CCOCC1
• InChI: InChI=1S/C15H26N4O/c1-17-7-4-16-15(17)14-2-5-18(6-3-14)8-9-19-10-12-20-13-11-19/h4,7,14H,2-3,5-6,8-13H2,1H3
• InChIKey: WQEYLONOCWIZQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[4-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl}morpholine
• Synonyms: 4-{2-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.357246
• LogD (pH = 7.4): -1.0992414
• Log P: 0.4882865
• Molar Refractivity: 81.1701 cm^3
• Polarizability: 31.368793 Å^3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.23
• LOG S: -0.42
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 4