1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine

C13H24N2 — CID 107897896

IUPAC1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine
SMILESC/C=C/CN1CC(C)NCC1(C)C1CC1
InChIInChI=1S/C13H24N2/c1-4-5-8-15-9-11(2)14-10-13(15,3)12-6-7-12/h4-5,11-12,14H,6-10H2,1-3H3/b5-4+
InChIKeyMLVXTCNEVVIZHF-SNAWJCMRSA-N
MW208.35 g/mol
LogP2.02
Rot. Bonds3

About 1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine

1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine (PubChem CID 107897896) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine
PubChem CID107897896
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine
SMILESC/C=C/CN1CC(C)NCC1(C)C1CC1
InChIInChI=1S/C13H24N2/c1-4-5-8-15-9-11(2)14-10-13(15,3)12-6-7-12/h4-5,11-12,14H,6-10H2,1-3H3/b5-4+
InChIKeyMLVXTCNEVVIZHF-SNAWJCMRSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.02
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]-2-cyclopropyl-2,5-dimethylpiperazine 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

1-butyl-2-cyclopropyl-2,5-dimethylpiperazine
CID 64844568
2-cyclopropyl-2,5-dimethyl-1-(2-methylbutyl)piperazine
CID 64844970
2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64843995
2-cyclopropyl-1,2,5-trimethylpiperazine
CID 64845552
2-cyclopropyl-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine
CID 64844581
2-cyclopropyl-2,5-dimethyl-1-(2-propoxyethyl)piperazine
CID 106458523
2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine
CID 64844387
2-cyclopropyl-2,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901615
2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64844959
1-[(E)-but-2-enyl]-2-ethyl-5-methylpiperazine
CID 107897884
1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 107898082
2-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-2,5-dimethylpiperazine
CID 64844969

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine (CID 107897896) is 1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine is C/C=C/CN1CC(C)NCC1(C)C1CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine?
The InChIKey is MLVXTCNEVVIZHF-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-5-8-15-9-11(2)14-10-13(15,3)12-6-7-12/h4-5,11-12,14H,6-10H2,1-3H3/b5-4+.
What are the key properties of 1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine?
1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 2.02, 3 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]-2-cyclopropyl-2,5-dimethylpiperazine is sourced from PubChem (CID 107897896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).