{[1-(2-methoxyethyl)piperidin-4-yl]methyl}(methyl)(1,3-thiazol-4-ylmethyl)amine

• ChemBase ID: 348260
• Molecular Formular: C14H25N3OS
• Molecular Mass: 283.4328
• Monoisotopic Mass: 283.17183344
• SMILES: n1c(csc1)CN(CC1CCN(CC1)CCOC)C
• Canonical SMILES: COCCN1CCC(CC1)CN(Cc1cscn1)C
• InChI: InChI=1S/C14H25N3OS/c1-16(10-14-11-19-12-15-14)9-13-3-5-17(6-4-13)7-8-18-2/h11-13H,3-10H2,1-2H3
• InChIKey: DGMIRNWUGCCBDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}(methyl)(1,3-thiazol-4-ylmethyl)amine
• IUPAC Traditional name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}(methyl)(1,3-thiazol-4-ylmethyl)amine
• Synonyms: 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.019324
• LogD (pH = 7.4): -0.90013635
• Log P: 1.0953386
• Molar Refractivity: 80.5995 cm^3
• Polarizability: 31.372604 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.81
• LOG S: -0.95
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 7