2-(3-methylpiperidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

• ChemBase ID: 804206
• Molecular Formular: C16H26BN3O2
• Molecular Mass: 303.20754
• Monoisotopic Mass: 303.21180749
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)N1CCCC(C1)C
• Canonical SMILES: CC1CCCN(C1)c1ncc(nc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H26BN3O2/c1-12-7-6-8-20(11-12)14-10-18-13(9-19-14)17-21-15(2,3)16(4,5)22-17/h9-10,12H,6-8,11H2,1-5H3
• InChIKey: XRJJHNCVOKFVPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylpiperidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2-(3-methylpiperidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: 5-(3-METHYLPIPERIDIN-1-YL)PYRAZINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.0628905
• LogD (pH = 7.4): 4.0629
• Log P: 4.0629
• Molar Refractivity: 83.0685 cm^3
• Polarizability: 33.673744 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%