1-methyl-4-(2-methylpent-2-enyl)piperazine

C₁₁H₂₂N₂ — CID 123791739

About 1-methyl-4-(2-methylpent-2-enyl)piperazine

1-methyl-4-(2-methylpent-2-enyl)piperazine (PubChem CID 123791739) has the molecular formula C₁₁H₂₂N₂ and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpent-2-enyl)piperazine.

Molecular Properties

• Compound Name: 1-methyl-4-(2-methylpent-2-enyl)piperazine
• PubChem CID: 123791739
• Molecular Formula: C₁₁H₂₂N₂
• Molecular Weight: 182.31 g/mol
• Exact Mass: 182.18
• IUPAC Name: 1-methyl-4-(2-methylpent-2-enyl)piperazine
• SMILES: CCC=C(C)CN1CCN(C)CC1
• InChI: InChI=1S/C11H22N2/c1-4-5-11(2)10-13-8-6-12(3)7-9-13/h5H,4,6-10H2,1-3H3
• InChIKey: QXTCPCKZLVADLJ-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.31
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpent-2-enyl)piperazine?

The IUPAC name of 1-methyl-4-(2-methylpent-2-enyl)piperazine (CID 123791739) is 1-methyl-4-(2-methylpent-2-enyl)piperazine.

What is the SMILES notation for 1-methyl-4-(2-methylpent-2-enyl)piperazine?

The canonical SMILES for 1-methyl-4-(2-methylpent-2-enyl)piperazine is CCC=C(C)CN1CCN(C)CC1.

What is the InChIKey of 1-methyl-4-(2-methylpent-2-enyl)piperazine?

The InChIKey is QXTCPCKZLVADLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-11(2)10-13-8-6-12(3)7-9-13/h5H,4,6-10H2,1-3H3.

What are the key properties of 1-methyl-4-(2-methylpent-2-enyl)piperazine?

1-methyl-4-(2-methylpent-2-enyl)piperazine has a molecular weight of 182.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-(2-methylpent-2-enyl)piperazine is sourced from PubChem (CID 123791739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123791739 — identifiers, structure, computed properties (public domain)

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