1-(5-bromo-1,3-thiazol-2-yl)piperidin-3-ol

• ChemBase ID: 804169
• Molecular Formular: C8H11BrN2OS
• Molecular Mass: 263.15474
• Monoisotopic Mass: 261.97754598
• SMILES: s1c(ncc1Br)N1CCCC(C1)O
• Canonical SMILES: OC1CCCN(C1)c1ncc(s1)Br
• InChI: InChI=1S/C8H11BrN2OS/c9-7-4-10-8(13-7)11-3-1-2-6(12)5-11/h4,6,12H,1-3,5H2
• InChIKey: FPWVOHRNGMGGAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-bromo-1,3-thiazol-2-yl)piperidin-3-ol
• IUPAC Traditional name: 1-(5-bromo-1,3-thiazol-2-yl)piperidin-3-ol
• Synonyms: 2-(3-HYDROXYPIPERIDIN-1-YL)-5-BROMOTHIAZOLE

CALCULATED PROPERTIES

• Acid pKa: 14.868399
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1344104
• LogD (pH = 7.4): 2.134542
• Log P: 2.1345437
• Molar Refractivity: 55.4545 cm^3
• Polarizability: 21.380304 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%