1-(1-bromopropyl)piperazine

C₇H₁₅BrN₂ — CID 135292234

About 1-(1-bromopropyl)piperazine

1-(1-bromopropyl)piperazine (PubChem CID 135292234) has the molecular formula C₇H₁₅BrN₂ and a molecular weight of 207.11 g/mol. Its IUPAC name is 1-(1-bromopropyl)piperazine.

Molecular Properties

• Compound Name: 1-(1-bromopropyl)piperazine
• PubChem CID: 135292234
• Molecular Formula: C₇H₁₅BrN₂
• Molecular Weight: 207.11 g/mol
• Exact Mass: 206.04
• IUPAC Name: 1-(1-bromopropyl)piperazine
• SMILES: CCC(Br)N1CCNCC1
• InChI: InChI=1S/C7H15BrN2/c1-2-7(8)10-5-3-9-4-6-10/h7,9H,2-6H2,1H3
• InChIKey: QKRDPQXUQQGPMZ-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.11
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropyl)piperazine?

The IUPAC name of 1-(1-bromopropyl)piperazine (CID 135292234) is 1-(1-bromopropyl)piperazine.

What is the SMILES notation for 1-(1-bromopropyl)piperazine?

The canonical SMILES for 1-(1-bromopropyl)piperazine is CCC(Br)N1CCNCC1.

What is the InChIKey of 1-(1-bromopropyl)piperazine?

The InChIKey is QKRDPQXUQQGPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrN2/c1-2-7(8)10-5-3-9-4-6-10/h7,9H,2-6H2,1H3.

What are the key properties of 1-(1-bromopropyl)piperazine?

1-(1-bromopropyl)piperazine has a molecular weight of 207.11 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-bromopropyl)piperazine is sourced from PubChem (CID 135292234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135292234 — identifiers, structure, computed properties (public domain)

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