1-methyl-4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine

• ChemBase ID: 804195
• Molecular Formular: C16H26BN3O2
• Molecular Mass: 303.20754
• Monoisotopic Mass: 303.21180749
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)N1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)c1cccc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H26BN3O2/c1-15(2)16(3,4)22-17(21-15)13-7-6-8-14(18-13)20-11-9-19(5)10-12-20/h6-8H,9-12H2,1-5H3
• InChIKey: KBTSSYBAAQRNMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0793717
• LogD (pH = 7.4): 3.712193
• Log P: 4.0514
• Molar Refractivity: 84.6619 cm^3
• Polarizability: 34.251858 Å^3
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%