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

C8H16N2 — CID 12563613

IUPAC1-[(E)-but-2-enyl]piperazine
SMILESC/C=C/CN1CCNCC1
InChIInChI=1S/C8H16N2/c1-2-3-6-10-7-4-9-5-8-10/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyJFUHNMVSTLJLOL-NSCUHMNNSA-N
MW140.23 g/mol
LogP0.47
Rot. Bonds2

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

1-[(E)-but-2-enyl]piperazine (PubChem CID 12563613) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]piperazine
PubChem CID12563613
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-[(E)-but-2-enyl]piperazine
SMILESC/C=C/CN1CCNCC1
InChIInChI=1S/C8H16N2/c1-2-3-6-10-7-4-9-5-8-10/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyJFUHNMVSTLJLOL-NSCUHMNNSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(E)-but-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)-but-2-enyl]piperazine?
The IUPAC name of 1-[(E)-but-2-enyl]piperazine (CID 12563613) is 1-[(E)-but-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]piperazine is C/C=C/CN1CCNCC1.
What is the InChIKey of 1-[(E)-but-2-enyl]piperazine?
The InChIKey is JFUHNMVSTLJLOL-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-3-6-10-7-4-9-5-8-10/h2-3,9H,4-8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]piperazine?
1-[(E)-but-2-enyl]piperazine has a molecular weight of 140.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]piperazine is sourced from PubChem (CID 12563613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).