1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine

C11H15F3N2 — CID 142167044

IUPAC1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
SMILESFC(F)(F)C1=CC(N2CCNCC2)=CCC1
InChIInChI=1S/C11H15F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h3,8,15H,1-2,4-7H2
InChIKeyCIQNMXUHFGZACH-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.06
Rot. Bonds1

About 1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine

1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine (PubChem CID 142167044) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
PubChem CID142167044
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
SMILESFC(F)(F)C1=CC(N2CCNCC2)=CCC1
InChIInChI=1S/C11H15F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h3,8,15H,1-2,4-7H2
InChIKeyCIQNMXUHFGZACH-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]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-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
The IUPAC name of 1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine (CID 142167044) is 1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine.
What is the SMILES notation for 1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
The canonical SMILES for 1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine is FC(F)(F)C1=CC(N2CCNCC2)=CCC1.
What is the InChIKey of 1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
The InChIKey is CIQNMXUHFGZACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h3,8,15H,1-2,4-7H2.
What are the key properties of 1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine has a molecular weight of 232.25 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine is sourced from PubChem (CID 142167044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).