2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)pyridine-3-boronic acid pinacol ester

• CAS: 1073354-42-3
• Catalog Number: ACM1073354423
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of the compound with the PubChem CID 44721339?

The molecular formula is C20H32BN3O4.

What is the molecular weight of the compound?

The molecular weight is 389.3 g/mol.

What is the IUPAC name of the compound?

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

What is the InChI of the compound?

The InChI is InChI=1S/C20H32BN3O4/c1-18(2,3)26-17(25)24-13-11-23(12-14-24)16-15(9-8-10-22-16)21-27-19(4,5)20(6,7)28-21/h8-10H,11-14H2,1-7H3.

What is the InChIKey of the compound?

The InChIKey is XJWOYOCFGJJSHT-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of the compound?

The compound has 6 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 64.1Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.