6-(4-Ethyl-piperazin-1-yl)pyridine-3-boronicacidpinacolester

• Catalog Number: ACM940285007
• Product Name: 6-(4-Ethyl-piperazin-1-yl)pyridine-3-boronicacidpinacolester
• CAS: 940285-00-7
• Category: Boronic Esters
• Synonyms: 940285-00-7, 1-Ethyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine, SureCN13778135, MolPort-021-802-452, AKOS015949861, AK119478, KB-218842, {\\rtf1\\ansi\\ansicpg1252\\deff0{\\fonttbl{\\f0\\fswiss\\fprq2\\fcharset0 MS Sans Serif;}}\\viewkind4\\uc1\\pard\\sa200\\sl276\\slmult1\\lang1033\\f0\\fs16 6-(4-Ethyl-piperazin-1-yl)pyridine-3-boronic acid pinacol ester\\par}
• IUPAC Name: 1-ethyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
• Molecular Weight: 317.23
• Molecular Formula: C₁₇H₂₈BN₃O₂
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)CC
• InChI Key: DSHOOXGDGVOLGA-UHFFFAOYSA-N
• Exact Mass: 317.22700
• H-Bond Acceptor: 5
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C17H28BN3O2.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-ethyl-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/C17H28BN3O2/c1-6-20-9-11-21(12-10-20)15-8-7-14(13-19-15)18-22-16(2,3)17(4,5)23-18/h7-8,13H,6,9-12H2,1-5H3.

What is the InChIKey of the compound?

The InChIKey of the compound is DSHOOXGDGVOLGA-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=CN=C(C=C2)N3CCN(CC3)CC.

What is the molecular weight of the compound?

The molecular weight of the compound is 317.2 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.