[6-(piperidin-1-yl)pyrazin-2-yl]boronic acid

• ChemBase ID: 804884
• Molecular Formular: C9H14BN3O2
• Molecular Mass: 207.03736
• Monoisotopic Mass: 207.1179071
• SMILES: B(O)(O)c1cncc(n1)N1CCCCC1
• Canonical SMILES: OB(c1cncc(n1)N1CCCCC1)O
• InChI: InChI=1S/C9H14BN3O2/c14-10(15)8-6-11-7-9(12-8)13-4-2-1-3-5-13/h6-7,14-15H,1-5H2
• InChIKey: LWBTYTWODWZWKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(piperidin-1-yl)pyrazin-2-yl]boronic acid
• IUPAC Traditional name: 6-(piperidin-1-yl)pyrazin-2-ylboronic acid
• Synonyms: 6-(PIPERIDIN-1-YL)PYRAZINE-2-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 7.6999764
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3967813
• LogD (pH = 7.4): 1.2236061
• Log P: 1.3995
• Molar Refractivity: 53.4873 cm^3
• Polarizability: 21.386326 Å^3
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%