1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine

C13H21F3N2 — CID 123401847

IUPAC1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
SMILESCC=C(CN1CCN(C)CC1)C(=CC)C(F)(F)F
InChIInChI=1S/C13H21F3N2/c1-4-11(12(5-2)13(14,15)16)10-18-8-6-17(3)7-9-18/h4-5H,6-10H2,1-3H3
InChIKeyJWEZLYZPTVBPPC-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.69
Rot. Bonds3

About 1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine

1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine (PubChem CID 123401847) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
PubChem CID123401847
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
SMILESCC=C(CN1CCN(C)CC1)C(=CC)C(F)(F)F
InChIInChI=1S/C13H21F3N2/c1-4-11(12(5-2)13(14,15)16)10-18-8-6-17(3)7-9-18/h4-5H,6-10H2,1-3H3
InChIKeyJWEZLYZPTVBPPC-UHFFFAOYSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-(2-Fluoroethyl)-4-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperazine
CID 123443565
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-Methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
CID 123679716
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-[[3,7-Dimethyl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]piperazine
CID 123832271
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine
CID 123907507
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine?
The IUPAC name of 1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine (CID 123401847) is 1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine is CC=C(CN1CCN(C)CC1)C(=CC)C(F)(F)F.
What is the InChIKey of 1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine?
The InChIKey is JWEZLYZPTVBPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c1-4-11(12(5-2)13(14,15)16)10-18-8-6-17(3)7-9-18/h4-5H,6-10H2,1-3H3.
What are the key properties of 1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine?
1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine has a molecular weight of 262.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine is sourced from PubChem (CID 123401847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).