1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-1-ylmethyl)piperidine

• ChemBase ID: 440927
• Molecular Formular: C15H25N3S
• Molecular Mass: 279.4441
• Monoisotopic Mass: 279.17691882
• SMILES: c1(nc(cs1)C)N1CC(CN2CCCCC2)CCC1
• Canonical SMILES: Cc1csc(n1)N1CCCC(C1)CN1CCCCC1
• InChI: InChI=1S/C15H25N3S/c1-13-12-19-15(16-13)18-9-5-6-14(11-18)10-17-7-3-2-4-8-17/h12,14H,2-11H2,1H3
• InChIKey: VFKHEYRRTLONRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-1-ylmethyl)piperidine
• IUPAC Traditional name: 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-1-ylmethyl)piperidine
• Synonyms: 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-1-ylmethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.409351
• LogD (pH = 7.4): 0.9822962
• Log P: 2.9350324
• Molar Refractivity: 82.0721 cm^3
• Polarizability: 31.314651 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.59
• LOG S: -4.34
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3