1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine

C11H18N2 — CID 89117790

IUPAC1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine
SMILESC=C/C=C\C=C(/C)N1CCNCC1
InChIInChI=1S/C11H18N2/c1-3-4-5-6-11(2)13-9-7-12-8-10-13/h3-6,12H,1,7-10H2,2H3/b5-4-,11-6+
InChIKeyWFOSLULBJPALSX-UMEJXRAUSA-N
MW178.28 g/mol
LogP1.54
Rot. Bonds3

About 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine

1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine (PubChem CID 89117790) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine.

Molecular Properties

Compound Name1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine
PubChem CID89117790
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine
SMILESC=C/C=C\C=C(/C)N1CCNCC1
InChIInChI=1S/C11H18N2/c1-3-4-5-6-11(2)13-9-7-12-8-10-13/h3-6,12H,1,7-10H2,2H3/b5-4-,11-6+
InChIKeyWFOSLULBJPALSX-UMEJXRAUSA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine?
The IUPAC name of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine (CID 89117790) is 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine.
What is the SMILES notation for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine?
The canonical SMILES for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine is C=C/C=C\C=C(/C)N1CCNCC1.
What is the InChIKey of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine?
The InChIKey is WFOSLULBJPALSX-UMEJXRAUSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-4-5-6-11(2)13-9-7-12-8-10-13/h3-6,12H,1,7-10H2,2H3/b5-4-,11-6+.
What are the key properties of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine?
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine has a molecular weight of 178.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine is sourced from PubChem (CID 89117790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).