4-{1-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl}morpholine

• ChemBase ID: 483492
• Molecular Formular: C15H25N3OS
• Molecular Mass: 295.4435
• Monoisotopic Mass: 295.17183344
• SMILES: c1(nc(cs1)C)N1CCC(C(N2CCOCC2)C)CC1
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)c1scc(n1)C
• InChI: InChI=1S/C15H25N3OS/c1-12-11-20-15(16-12)18-5-3-14(4-6-18)13(2)17-7-9-19-10-8-17/h11,13-14H,3-10H2,1-2H3
• InChIKey: IDFYSOHGCXEKSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{1-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl}morpholine
• Synonyms: 4-{1-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.46546182
• LogD (pH = 7.4): 1.3079598
• Log P: 2.241184
• Molar Refractivity: 83.5222 cm^3
• Polarizability: 32.015495 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.33
• LOG S: -3.32
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3