1-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperidin-4-ol

• ChemBase ID: 804834
• Molecular Formular: C16H25BN2O3
• Molecular Mass: 304.1923
• Monoisotopic Mass: 304.19582307
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)N1CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)c1cccc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H25BN2O3/c1-15(2)16(3,4)22-17(21-15)13-6-5-7-14(18-13)19-10-8-12(20)9-11-19/h5-7,12,20H,8-11H2,1-4H3
• InChIKey: VQTRYULJANQBCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperidin-4-ol
• IUPAC Traditional name: 1-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperidin-4-ol
• Synonyms: 6-(4-HYDROXYPIPERIDIN-1-YL)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• Acid pKa: 15.177715
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.501357
• LogD (pH = 7.4): 3.5039666
• Log P: 3.504
• Molar Refractivity: 82.3361 cm^3
• Polarizability: 33.34583 Å^3
• Polar Surface Area: 54.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%