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

• ChemBase ID: 804833
• Molecular Formular: C15H24BN3O2
• Molecular Mass: 289.18096
• Monoisotopic Mass: 289.19615742
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)N1CCNCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)N1CCNCC1
• InChI: InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-13(18-12)19-10-8-17-9-11-19/h5-7,17H,8-11H2,1-4H3
• InChIKey: JKMFZLYCHPGXEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5804953
• LogD (pH = 7.4): 2.2992916
• Log P: 3.69
• Molar Refractivity: 79.3672 cm^3
• Polarizability: 32.40946 Å^3
• Polar Surface Area: 46.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%