3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine

C15H24N2 — CID 89049774

IUPAC3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine
SMILESC=C/C(=C\C=C(/C)N1CCNC(=C)C1)C(C)C
InChIInChI=1S/C15H24N2/c1-6-15(12(2)3)8-7-14(5)17-10-9-16-13(4)11-17/h6-8,12,16H,1,4,9-11H2,2-3,5H3/b14-7+,15-8+
InChIKeyLOWRKNFFZSVHED-IROCBMIISA-N
MW232.37 g/mol
LogP3.08
Rot. Bonds4

About 3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine

3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine (PubChem CID 89049774) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine.

Molecular Properties

Compound Name3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine
PubChem CID89049774
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine
SMILESC=C/C(=C\C=C(/C)N1CCNC(=C)C1)C(C)C
InChIInChI=1S/C15H24N2/c1-6-15(12(2)3)8-7-14(5)17-10-9-16-13(4)11-17/h6-8,12,16H,1,4,9-11H2,2-3,5H3/b14-7+,15-8+
InChIKeyLOWRKNFFZSVHED-IROCBMIISA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-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 3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine?
The IUPAC name of 3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine (CID 89049774) is 3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine.
What is the SMILES notation for 3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine?
The canonical SMILES for 3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine is C=C/C(=C\C=C(/C)N1CCNC(=C)C1)C(C)C.
What is the InChIKey of 3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine?
The InChIKey is LOWRKNFFZSVHED-IROCBMIISA-N. The full InChI is InChI=1S/C15H24N2/c1-6-15(12(2)3)8-7-14(5)17-10-9-16-13(4)11-17/h6-8,12,16H,1,4,9-11H2,2-3,5H3/b14-7+,15-8+.
What are the key properties of 3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine?
3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine has a molecular weight of 232.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine is sourced from PubChem (CID 89049774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).