1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine

C12H19F3N2 — CID 123907507

IUPAC1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine
SMILESC=C(CN1CCN(CC)CC1)C(=C)C(F)(F)F
InChIInChI=1S/C12H19F3N2/c1-4-16-5-7-17(8-6-16)9-10(2)11(3)12(13,14)15/h2-9H2,1H3
InChIKeyWOMLIFLYQJXXLX-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.30
Rot. Bonds4

About 1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine

1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine (PubChem CID 123907507) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine
PubChem CID123907507
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine
SMILESC=C(CN1CCN(CC)CC1)C(=C)C(F)(F)F
InChIInChI=1S/C12H19F3N2/c1-4-16-5-7-17(8-6-16)9-10(2)11(3)12(13,14)15/h2-9H2,1H3
InChIKeyWOMLIFLYQJXXLX-UHFFFAOYSA-N
XLogP2.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-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

1-(2-Methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 90245436
1-[2-Ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
CID 123401847
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-Ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine
CID 123724920
1-Ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine
CID 123728932
1-[2-Ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine
CID 123762068
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]-4-(trifluoromethyl)piperazine
CID 124118224
1-(Trifluoromethyl)-4-(1,2,2-trifluoro-3-methylbut-3-enyl)piperazine
CID 124118227
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]-4-methylpiperazine
CID 129207812

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine (CID 123907507) is 1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine is C=C(CN1CCN(CC)CC1)C(=C)C(F)(F)F.
What is the InChIKey of 1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine?
The InChIKey is WOMLIFLYQJXXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-4-16-5-7-17(8-6-16)9-10(2)11(3)12(13,14)15/h2-9H2,1H3.
What are the key properties of 1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine?
1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine has a molecular weight of 248.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine is sourced from PubChem (CID 123907507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).