(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine

C₁₀H₁₇N₃ — CID 143325176

About (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine

(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine (PubChem CID 143325176) has the molecular formula C₁₀H₁₇N₃ and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine.

Molecular Properties

• Compound Name: (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
• PubChem CID: 143325176
• Molecular Formula: C₁₀H₁₇N₃
• Molecular Weight: 179.27 g/mol
• Exact Mass: 179.14
• IUPAC Name: (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
• SMILES: C=C(/N=C\C=C/C)N1CCNCC1
• InChI: InChI=1S/C10H17N3/c1-3-4-5-12-10(2)13-8-6-11-7-9-13/h3-5,11H,2,6-9H2,1H3/b4-3-,12-5-
• InChIKey: ZPKRNDMUORBZGB-HVSXSXIDSA-N
• XLogP: 1.01
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.27
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine?

The IUPAC name of (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine (CID 143325176) is (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine.

What is the SMILES notation for (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine?

The canonical SMILES for (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine is C=C(/N=C\C=C/C)N1CCNCC1.

What is the InChIKey of (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine?

The InChIKey is ZPKRNDMUORBZGB-HVSXSXIDSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-4-5-12-10(2)13-8-6-11-7-9-13/h3-5,11H,2,6-9H2,1H3/b4-3-,12-5-.

What are the key properties of (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine?

(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine has a molecular weight of 179.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine is sourced from PubChem (CID 143325176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143325176 — identifiers, structure, computed properties (public domain)

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