1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine

C₁₄H₂₄N₂O — CID 143999017

About 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine

1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine (PubChem CID 143999017) has the molecular formula C₁₄H₂₄N₂O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine.

Molecular Properties

• Compound Name: 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
• PubChem CID: 143999017
• Molecular Formula: C₁₄H₂₄N₂O
• Molecular Weight: 236.36 g/mol
• Exact Mass: 236.19
• IUPAC Name: 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
• SMILES: C=C(/C=C\C(=C/C)CN1CCN(C)CC1)OC
• InChI: InChI=1S/C14H24N2O/c1-5-14(7-6-13(2)17-4)12-16-10-8-15(3)9-11-16/h5-7H,2,8-12H2,1,3-4H3/b7-6-,14-5+
• InChIKey: WVOOHRACIQVLGK-WFRORPSUSA-N
• XLogP: 1.90
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.36
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?

The IUPAC name of 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine (CID 143999017) is 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine.

What is the SMILES notation for 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?

The canonical SMILES for 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine is C=C(/C=C\C(=C/C)CN1CCN(C)CC1)OC.

What is the InChIKey of 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?

The InChIKey is WVOOHRACIQVLGK-WFRORPSUSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-14(7-6-13(2)17-4)12-16-10-8-15(3)9-11-16/h5-7H,2,8-12H2,1,3-4H3/b7-6-,14-5+.

What are the key properties of 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?

1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine has a molecular weight of 236.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine is sourced from PubChem (CID 143999017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143999017 — identifiers, structure, computed properties (public domain)

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