1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

• ChemBase ID: 101197
• Molecular Formular: C17H26BNO2
• Molecular Mass: 287.20484
• Monoisotopic Mass: 287.20565948
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(N2CCCCC2)cc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(cc1)N1CCCCC1
• InChI: InChI=1S/C17H26BNO2/c1-16(2)17(3,4)21-18(20-16)14-8-10-15(11-9-14)19-12-6-5-7-13-19/h8-11H,5-7,12-13H2,1-4H3
• InChIKey: OTOKWHGMHAAFRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
• IUPAC Traditional name: 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
• Synonyms: 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine; 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine; 4-(1-Piperidinyl)benzeneboronic acid pinacol ester; 4-(1-哌啶基)苯硼酸频哪酯

Database IDs

• CAS Number: 852227-96-4
• MDL Number: MFCD07368524
• PubChem SID: 162087042
• PubChem CID: 4961250

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.878628
• LogD (pH = 7.4): 4.8865976
• Log P: 4.8867
• Molar Refractivity: 82.2837 cm^3
• Polarizability: 33.6301 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%; 97%; 98%