1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine

C13H21F3N2 — CID 123728932

IUPAC1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine
SMILESC=CC(=C(C)CN1CCN(CC)CC1)C(F)(F)F
InChIInChI=1S/C13H21F3N2/c1-4-12(13(14,15)16)11(3)10-18-8-6-17(5-2)7-9-18/h4H,1,5-10H2,2-3H3
InChIKeyYXBBLCGGELUCGU-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.69
Rot. Bonds4

About 1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine

1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine (PubChem CID 123728932) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine
PubChem CID123728932
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine
SMILESC=CC(=C(C)CN1CCN(CC)CC1)C(F)(F)F
InChIInChI=1S/C13H21F3N2/c1-4-12(13(14,15)16)11(3)10-18-8-6-17(5-2)7-9-18/h4H,1,5-10H2,2-3H3
InChIKeyYXBBLCGGELUCGU-UHFFFAOYSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine (CID 123728932) is 1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine is C=CC(=C(C)CN1CCN(CC)CC1)C(F)(F)F.
What is the InChIKey of 1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine?
The InChIKey is YXBBLCGGELUCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c1-4-12(13(14,15)16)11(3)10-18-8-6-17(5-2)7-9-18/h4H,1,5-10H2,2-3H3.
What are the key properties of 1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine?
1-ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine has a molecular weight of 262.32 g/mol, XLogP of 2.69, 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-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine is sourced from PubChem (CID 123728932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).