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

• ChemBase ID: 804207
• Molecular Formular: C16H26BN3O2
• Molecular Mass: 303.20754
• Monoisotopic Mass: 303.21180749
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)N1CCCCC1C
• Canonical SMILES: CC1CCCCN1c1ncc(nc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H26BN3O2/c1-12-8-6-7-9-20(12)14-11-18-13(10-19-14)17-21-15(2,3)16(4,5)22-17/h10-12H,6-9H2,1-5H3
• InChIKey: PNGWNLUJCDMDHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.073191
• LogD (pH = 7.4): 4.0731997
• Log P: 4.0732
• Molar Refractivity: 83.0157 cm^3
• Polarizability: 33.673656 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%