1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine

C14H21F3N2 — CID 123762068

IUPAC1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine
SMILESC=CC(CN1CCN(CC)CC1)=C(C=C)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-12(13(5-2)14(15,16)17)11-19-9-7-18(6-3)8-10-19/h4-5H,1-2,6-11H2,3H3
InChIKeyOOKLJLIJYCWNFH-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.85
Rot. Bonds5

About 1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine

1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine (PubChem CID 123762068) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine
PubChem CID123762068
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine
SMILESC=CC(CN1CCN(CC)CC1)=C(C=C)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-12(13(5-2)14(15,16)17)11-19-9-7-18(6-3)8-10-19/h4-5H,1-2,6-11H2,3H3
InChIKeyOOKLJLIJYCWNFH-UHFFFAOYSA-N
XLogP2.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine (CID 123762068) is 1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine is C=CC(CN1CCN(CC)CC1)=C(C=C)C(F)(F)F.
What is the InChIKey of 1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine?
The InChIKey is OOKLJLIJYCWNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-12(13(5-2)14(15,16)17)11-19-9-7-18(6-3)8-10-19/h4-5H,1-2,6-11H2,3H3.
What are the key properties of 1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine?
1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine has a molecular weight of 274.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine is sourced from PubChem (CID 123762068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).