Pipobroman

C₁₀H₁₆Br₂N₂O₂ — CID 4842

About Pipobroman

Pipobroman (PubChem CID 4842) has the molecular formula C₁₀H₁₆Br₂N₂O₂ and a molecular weight of 356.06 g/mol. Its IUPAC name is 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: Pipobroman
• PubChem CID: 4842
• Molecular Formula: C₁₀H₁₆Br₂N₂O₂
• Molecular Weight: 356.06 g/mol
• Exact Mass: 353.96
• IUPAC Name: 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one
• SMILES: O=C(CCBr)N1CCN(C(=O)CCBr)CC1
• InChI: InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2
• InChIKey: NJBFOOCLYDNZJN-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.06
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Pipobroman?

The IUPAC name of Pipobroman (CID 4842) is 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one.

What is the SMILES notation for Pipobroman?

The canonical SMILES for Pipobroman is O=C(CCBr)N1CCN(C(=O)CCBr)CC1.

What is the InChIKey of Pipobroman?

The InChIKey is NJBFOOCLYDNZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2.

What are the key properties of Pipobroman?

Pipobroman has a molecular weight of 356.06 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Pipobroman is sourced from PubChem (CID 4842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4842 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2192 — approved-drug record (CC BY-SA 4.0)

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