Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid

C₁₀H₂₂BN₃O — CID 156684362

About Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid

Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid (PubChem CID 156684362) has the molecular formula C₁₀H₂₂BN₃O and a molecular weight of 211.12 g/mol. Its IUPAC name is methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid.

Molecular Properties

• Compound Name: Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid
• PubChem CID: 156684362
• Molecular Formula: C₁₀H₂₂BN₃O
• Molecular Weight: 211.12 g/mol
• Exact Mass: 211.19
• IUPAC Name: methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid
• SMILES: CB(O)N1CCC(N2CCNCC2)CC1
• InChI: InChI=1S/C10H22BN3O/c1-11(15)14-6-2-10(3-7-14)13-8-4-12-5-9-13/h10,12,15H,2-9H2,1H3
• InChIKey: RLGWWGTYRQFZHQ-UHFFFAOYSA-N
• XLogP: -0.53
• TPSA: 38.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	211.12
LogP ≤ 5	-0.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid?

The IUPAC name of Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid (CID 156684362) is methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid.

What is the SMILES notation for Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid?

The canonical SMILES for Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid is CB(O)N1CCC(N2CCNCC2)CC1.

What is the InChIKey of Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid?

The InChIKey is RLGWWGTYRQFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BN3O/c1-11(15)14-6-2-10(3-7-14)13-8-4-12-5-9-13/h10,12,15H,2-9H2,1H3.

What are the key properties of Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid?

Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid has a molecular weight of 211.12 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid is sourced from PubChem (CID 156684362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156684362 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.