2-(piperidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

• ChemBase ID: 810670
• Molecular Formular: C15H24BN3O2
• Molecular Mass: 289.18096
• Monoisotopic Mass: 289.19615742
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(nc1)N1CCCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cnc(nc1)N1CCCCC1
• InChI: InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-10-17-13(18-11-12)19-8-6-5-7-9-19/h10-11H,5-9H2,1-4H3
• InChIKey: PHVGYFSOPFMYPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• IUPAC Traditional name: 2-(piperidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• Synonyms: 2-(PIPERIDIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1015242-08-6

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.4336705
• LogD (pH = 7.4): 3.4337983
• Log P: 3.4338
• Molar Refractivity: 78.894 cm^3
• Polarizability: 31.831955 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%