3-ethyl-1-(3-methylbut-2-enyl)piperazine

C11H22N2 — CID 107901348

IUPAC3-ethyl-1-(3-methylbut-2-enyl)piperazine
SMILESCCC1CN(CC=C(C)C)CCN1
InChIInChI=1S/C11H22N2/c1-4-11-9-13(8-6-12-11)7-5-10(2)3/h5,11-12H,4,6-9H2,1-3H3
InChIKeyGIJRZHBSVBBTFD-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds3

About 3-ethyl-1-(3-methylbut-2-enyl)piperazine

3-ethyl-1-(3-methylbut-2-enyl)piperazine (PubChem CID 107901348) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylbut-2-enyl)piperazine.

Molecular Properties

Compound Name3-ethyl-1-(3-methylbut-2-enyl)piperazine
PubChem CID107901348
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-ethyl-1-(3-methylbut-2-enyl)piperazine
SMILESCCC1CN(CC=C(C)C)CCN1
InChIInChI=1S/C11H22N2/c1-4-11-9-13(8-6-12-11)7-5-10(2)3/h5,11-12H,4,6-9H2,1-3H3
InChIKeyGIJRZHBSVBBTFD-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-(3-methylbut-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

Related Compounds

3-ethyl-7-methyl-1-(3-methylbut-2-enyl)-1,4-diazepane
CID 107901957
1-(2-bromoethyl)-3-ethylpiperazine
CID 173202340
3-ethyl-1-pentylpiperazine
CID 64832988
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 64951925
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine
CID 64952931
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-(2-ethoxy-2-methylpropyl)-3-ethylpiperazine
CID 114944433
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine
CID 103016155
2-[(3-ethylpiperazin-1-yl)methyl]pyrimidine
CID 64831814
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
(3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine
CID 130637645

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylbut-2-enyl)piperazine?
The IUPAC name of 3-ethyl-1-(3-methylbut-2-enyl)piperazine (CID 107901348) is 3-ethyl-1-(3-methylbut-2-enyl)piperazine.
What is the SMILES notation for 3-ethyl-1-(3-methylbut-2-enyl)piperazine?
The canonical SMILES for 3-ethyl-1-(3-methylbut-2-enyl)piperazine is CCC1CN(CC=C(C)C)CCN1.
What is the InChIKey of 3-ethyl-1-(3-methylbut-2-enyl)piperazine?
The InChIKey is GIJRZHBSVBBTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-11-9-13(8-6-12-11)7-5-10(2)3/h5,11-12H,4,6-9H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methylbut-2-enyl)piperazine?
3-ethyl-1-(3-methylbut-2-enyl)piperazine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylbut-2-enyl)piperazine is sourced from PubChem (CID 107901348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).