Piperidine-4-boronic acid pinacol ester hcl

• CAS: 1218790-99-8
• Catalog Number: ACM1218790998
• Category: Other Products; Other
• Molecular Weight: 247.57g/mol
• Molecular Formula: C11H23BClNO2
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2CCNCC2.Cl
• InChI: InChI=1S/C11H22BNO2.ClH/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h9,13H,5-8H2,1-4H3;1H
• InChI Key: DJEBJGUAIJWKGA-UHFFFAOYSA-N
• Complexity: 221
• Covalently-Bonded Unit Count: 2
• Exact Mass: 247.151037g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 16
• Monoisotopic Mass: 247.151037g/mol
• Rotatable Bond Count: 1

Custom Reviews

June 16, 2023

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Analytically pure
The purity of piperidine-4-boronic acid pinacol ester hcl is very high, which can meet my requirements in analysis and research.

Custom Q&A

What is the molecular formula of Piperidine-4-boronic acid pinacol ester HCl?

The molecular formula is C11H23BClNO2.

What is the molecular weight of Piperidine-4-boronic acid pinacol ester HCl?

The molecular weight is 247.57 g/mol.

What is the IUPAC name of Piperidine-4-boronic acid pinacol ester HCl?

The IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride.

What is the InChI of Piperidine-4-boronic acid pinacol ester HCl?

The InChI is InChI=1S/C11H22BNO2.ClH/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h9,13H,5-8H2,1-4H3;1H.

What is the InChIKey of Piperidine-4-boronic acid pinacol ester HCl?

The InChIKey is DJEBJGUAIJWKGA-UHFFFAOYSA-N.

What is the canonical SMILES of Piperidine-4-boronic acid pinacol ester HCl?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2CCNCC2.Cl.

What is the CAS number of Piperidine-4-boronic acid pinacol ester HCl?

The CAS number is 1218790-99-8.

What is the European Community (EC) number of Piperidine-4-boronic acid pinacol ester HCl?

The European Community (EC) number is 694-833-2.

What is the hydrogen bond donor count of Piperidine-4-boronic acid pinacol ester HCl?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of Piperidine-4-boronic acid pinacol ester HCl?

The hydrogen bond acceptor count is 3.

Synthetic Use

Upstream Synthesis Route 1

• 408492-27-3

• 1218790-99-8

Reference: [1]Patent: US2018/51042,2018,A1 .Location in patent: Paragraph 0052