1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperidin-4-ol

• ChemBase ID: 804840
• Molecular Formular: C14H23BN2O3S
• Molecular Mass: 310.22002
• Monoisotopic Mass: 310.15224401
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)N1CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)c1scc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C14H23BN2O3S/c1-13(2)14(3,4)20-15(19-13)11-9-21-12(16-11)17-7-5-10(18)6-8-17/h9-10,18H,5-8H2,1-4H3
• InChIKey: YQSMGBJOWWKDCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperidin-4-ol
• IUPAC Traditional name: 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperidin-4-ol
• Synonyms: 2-(4-HYDROXYPIPERIDIN-1-YL)THIAZOLE-4-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• Acid pKa: 15.177637
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.3769546
• LogD (pH = 7.4): 3.377098
• Log P: 3.3771
• Molar Refractivity: 78.8612 cm^3
• Polarizability: 32.05724 Å^3
• Polar Surface Area: 54.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%