2-(piperidin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 804832
• Molecular Formular: C16H25BN2O2
• Molecular Mass: 288.1929
• Monoisotopic Mass: 288.20090845
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)N1CCCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)N1CCCCC1
• InChI: InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)13-9-8-10-14(18-13)19-11-6-5-7-12-19/h8-10H,5-7,11-12H2,1-4H3
• InChIKey: QKAHYIHFFRHRNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-(piperidin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 6-(PIPERIDIN-1-YL)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.9693456
• LogD (pH = 7.4): 4.9719663
• Log P: 4.972
• Molar Refractivity: 80.7538 cm^3
• Polarizability: 32.725723 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%