1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine

C14H21F3N2 — CID 123987426

IUPAC1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
SMILESCCN1CCN(CC2=CCCC=C2C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2/c1-2-18-7-9-19(10-8-18)11-12-5-3-4-6-13(12)14(15,16)17/h5-6H,2-4,7-11H2,1H3
InChIKeyHRWIGRLIPNCVSK-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.83
Rot. Bonds3

About 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine

1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine (PubChem CID 123987426) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
PubChem CID123987426
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
SMILESCCN1CCN(CC2=CCCC=C2C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2/c1-2-18-7-9-19(10-8-18)11-12-5-3-4-6-13(12)14(15,16)17/h5-6H,2-4,7-11H2,1H3
InChIKeyHRWIGRLIPNCVSK-UHFFFAOYSA-N
XLogP2.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine (CID 123987426) is 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine is CCN1CCN(CC2=CCCC=C2C(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine?
The InChIKey is HRWIGRLIPNCVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-2-18-7-9-19(10-8-18)11-12-5-3-4-6-13(12)14(15,16)17/h5-6H,2-4,7-11H2,1H3.
What are the key properties of 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine?
1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine has a molecular weight of 274.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine is sourced from PubChem (CID 123987426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).