6-(4-Methylpiperazin-1-yl)pyridine-2-boronicacidpinacolester

• CAS: 1310383-04-0
• Catalog Number: ACM1310383040
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C16H26BN3O2.

What are the synonyms of the compound?

The synonyms of the compound include 1-Methyl-4-(6-(4,4,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine and 6-(4-Methylpiperazin-1-yl)pyridine-2-boronic acid pinacol ester.

When was the compound created and last modified?

The compound was created on June 21, 2010, and last modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-methyl-4-[6-(4,4,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine.

What is the InChIKey of the compound?

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

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=NC(=CC=C2)N3CCN(CC3)C.

How many Hydrogen Bond Acceptor Count does the compound have?

The compound has 5 Hydrogen Bond Acceptor Count.

What is the Topological Polar Surface Area of the compound?

The Topological Polar Surface Area of the compound is 37.8Ų.

How many Rotatable Bond Count does the compound have?

The compound has 2 Rotatable Bond Count.

Is the Compound Is Canonicalized?

Yes, the Compound Is Canonicalized.