2-(piperazin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

• ChemBase ID: 804817
• Molecular Formular: C14H23BN4O2
• Molecular Mass: 290.16902
• Monoisotopic Mass: 290.1914064
• SMILES: CC1(C)OB(OC1(C)C)c1cncc(n1)N1CCNCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cncc(n1)N1CCNCC1
• InChI: InChI=1S/C14H23BN4O2/c1-13(2)14(3,4)21-15(20-13)11-9-17-10-12(18-11)19-7-5-16-6-8-19/h9-10,16H,5-8H2,1-4H3
• InChIKey: WHLAAJWPCNQBKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2-(piperazin-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: 6-(PIPERAZIN-1-YL)PYRAZINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.69457984
• LogD (pH = 7.4): 1.0377829
• Log P: 2.3781
• Molar Refractivity: 77.2103 cm^3
• Polarizability: 31.521692 Å^3
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%