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

• ChemBase ID: 685253
• Molecular Formular: C15H26N4O
• Molecular Mass: 278.39314
• Monoisotopic Mass: 278.21066147
• SMILES: n1c(c[nH]c1C)CN1C(CN2CCOCC2)CCCC1
• Canonical SMILES: Cc1[nH]cc(n1)CN1CCCCC1CN1CCOCC1
• InChI: InChI=1S/C15H26N4O/c1-13-16-10-14(17-13)11-19-5-3-2-4-15(19)12-18-6-8-20-9-7-18/h10,15H,2-9,11-12H2,1H3,(H,16,17)
• InChIKey: WUOPFWPUVLZUOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.442463
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2854843
• LogD (pH = 7.4): -0.12870574
• Log P: 0.71098644
• Molar Refractivity: 80.3798 cm^3
• Polarizability: 31.447641 Å^3
• Polar Surface Area: 44.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.43
• LOG S: 0.14
• Polar Surface Area: 44.39 Å^2
• Rotatable Bonds: 4