2-(4-Isopropyl-piperazin-1-yl)pyridine-5-boronic acid pinacol ester

• Catalog Number: ACM919496585
• Product Name: 2-(4-Isopropyl-piperazin-1-yl)pyridine-5-boronic acid pinacol ester
• CAS: 919496-58-5
• Category: Heterocyclic Organic Compound
• Synonyms: KB-276557, (4-isopropylpiperazin-1-yl)pyridine-5-boronic acid pinacol ester, 919496-58-5
• IUPAC Name: 1-propan-2-yl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
• Molecular Weight: 331.26
• Molecular Formula: C₁₈H₃₀BN₃O₂
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(C)C
• InChI Key: TYHGWMPAZRYODJ-UHFFFAOYSA-N
• Boiling Point: 455.1±45.0 °C (760 mmHg)
• Density: 1.08±0.1 g/cm³ (20 °C, 760 mmHg)
• Exact Mass: 331.24300
• H-Bond Acceptor: 5
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C18H30BN3O2.

What are the synonyms of the compound?

The synonyms are 919496-58-5, 1-isopropyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine, 1-Isopropyl-4-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine, 2-(4-isopropyl-piperazin-1-yl) pyridine-5-boronic acid pinacol ester, and 1-propan-2-yl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine.

What is the molecular weight of the compound?

The molecular weight is 331.3 g/mol.

When was the compound created and modified?

The compound was created on June 4, 2015, and modified on December 30, 2023.

What is the IUPAC name of the compound?

The IUPAC name is 1-propan-2-yl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C18H30BN3O2/c1-14(2)21-9-11-22(12-10-21)16-8-7-15(13-20-16)19-23-17(3,4)18(5,6)24-19/h7-8,13-14H,9-12H2,1-6H3.

What is the InChIKey of the compound?

The InChIKey of the compound is TYHGWMPAZRYODJ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(C)C.

What is the CAS number of the compound?

The CAS number is 919496-58-5.

How many hydrogen bond acceptor count does the compound have?

The compound has 5 hydrogen bond acceptor count.