1-[(E)-2-ethylhex-2-enyl]piperazine

C12H24N2 — CID 20521851

IUPAC1-[(E)-2-ethylhex-2-enyl]piperazine
SMILESCCC/C=C(\CC)CN1CCNCC1
InChIInChI=1S/C12H24N2/c1-3-5-6-12(4-2)11-14-9-7-13-8-10-14/h6,13H,3-5,7-11H2,1-2H3/b12-6+
InChIKeyYMJVCFBHXQQYCI-WUXMJOGZSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds5

About 1-[(E)-2-ethylhex-2-enyl]piperazine

1-[(E)-2-ethylhex-2-enyl]piperazine (PubChem CID 20521851) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[(E)-2-ethylhex-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-2-ethylhex-2-enyl]piperazine
PubChem CID20521851
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[(E)-2-ethylhex-2-enyl]piperazine
SMILESCCC/C=C(\CC)CN1CCNCC1
InChIInChI=1S/C12H24N2/c1-3-5-6-12(4-2)11-14-9-7-13-8-10-14/h6,13H,3-5,7-11H2,1-2H3/b12-6+
InChIKeyYMJVCFBHXQQYCI-WUXMJOGZSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(E)-2-ethylhex-2-enyl]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-[(E)-2-ethylhex-2-enyl]piperazine?
The IUPAC name of 1-[(E)-2-ethylhex-2-enyl]piperazine (CID 20521851) is 1-[(E)-2-ethylhex-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-2-ethylhex-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-2-ethylhex-2-enyl]piperazine is CCC/C=C(\CC)CN1CCNCC1.
What is the InChIKey of 1-[(E)-2-ethylhex-2-enyl]piperazine?
The InChIKey is YMJVCFBHXQQYCI-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-5-6-12(4-2)11-14-9-7-13-8-10-14/h6,13H,3-5,7-11H2,1-2H3/b12-6+.
What are the key properties of 1-[(E)-2-ethylhex-2-enyl]piperazine?
1-[(E)-2-ethylhex-2-enyl]piperazine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-ethylhex-2-enyl]piperazine is sourced from PubChem (CID 20521851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).