2-(4-methylpiperidin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 804892
• Molecular Formular: C17H27BN2O2
• Molecular Mass: 302.21948
• Monoisotopic Mass: 302.21655851
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)N1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)c1cccc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C17H27BN2O2/c1-13-9-11-20(12-10-13)15-8-6-7-14(19-15)18-21-16(2,3)17(4,5)22-18/h6-8,13H,9-12H2,1-5H3
• InChIKey: JAHXYOLTDLHSDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpiperidin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-(4-methylpiperidin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 6-(4-METHYLPIPERIDIN-1-YL)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.2998466
• LogD (pH = 7.4): 5.3024664
• Log P: 5.3025
• Molar Refractivity: 85.3024 cm^3
• Polarizability: 34.56892 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%