2-(trifluoromethyl)piperazin-4-ium

C5H10F3N2+ — CID 149389137

IUPAC2-(trifluoromethyl)piperazin-4-ium
SMILESFC(F)(F)C1C[NH2+]CCN1
InChIInChI=1S/C5H9F3N2/c6-5(7,8)4-3-9-1-2-10-4/h4,9-10H,1-3H2/p+1
InChIKeyYNEJOOCZWXGXDU-UHFFFAOYSA-O
MW155.14 g/mol
LogP-0.92
Rot. Bonds

About 2-(trifluoromethyl)piperazin-4-ium

2-(trifluoromethyl)piperazin-4-ium (PubChem CID 149389137) has the molecular formula C5H10F3N2+ and a molecular weight of 155.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)piperazin-4-ium.

Molecular Properties

Compound Name2-(trifluoromethyl)piperazin-4-ium
PubChem CID149389137
Molecular FormulaC5H10F3N2+
Molecular Weight155.14 g/mol
Exact Mass155.08
IUPAC Name2-(trifluoromethyl)piperazin-4-ium
SMILESFC(F)(F)C1C[NH2+]CCN1
InChIInChI=1S/C5H9F3N2/c6-5(7,8)4-3-9-1-2-10-4/h4,9-10H,1-3H2/p+1
InChIKeyYNEJOOCZWXGXDU-UHFFFAOYSA-O
XLogP-0.92
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.14
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(trifluoromethyl)piperazin-4-ium with MolForge

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

Launch Full Analysis

Related Compounds

2-(trifluoromethyl)azetidine;hydrochloride
CID 119031729
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552
(2S)-2-(trifluoromethyl)azepane
CID 52810921
(3S)-3-(trifluoromethyl)morpholine
CID 52810917
(2S)-4-methyl-2-(trifluoromethyl)piperidine
CID 161454628
5-(trifluoromethyl)-1,4-thiazepane
CID 172880439
3-(trifluoromethyl)-1,4-oxazepane
CID 82597850
5-(trifluoromethyl)-1,4-oxazepane;hydrochloride
CID 138991207
titanium(4+);2,6,10-tris(trifluoromethyl)-1,5-diaza-9-azanidacyclododecane;trichloride
CID 22113775
2-(2-fluoropropan-2-yl)azetidine
CID 105427113
(2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid
CID 124547925
2-(trifluoromethyl)imidazolidine;hydrochloride
CID 174747202

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)piperazin-4-ium?
The IUPAC name of 2-(trifluoromethyl)piperazin-4-ium (CID 149389137) is 2-(trifluoromethyl)piperazin-4-ium.
What is the SMILES notation for 2-(trifluoromethyl)piperazin-4-ium?
The canonical SMILES for 2-(trifluoromethyl)piperazin-4-ium is FC(F)(F)C1C[NH2+]CCN1.
What is the InChIKey of 2-(trifluoromethyl)piperazin-4-ium?
The InChIKey is YNEJOOCZWXGXDU-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9F3N2/c6-5(7,8)4-3-9-1-2-10-4/h4,9-10H,1-3H2/p+1.
What are the key properties of 2-(trifluoromethyl)piperazin-4-ium?
2-(trifluoromethyl)piperazin-4-ium has a molecular weight of 155.14 g/mol, XLogP of -0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)piperazin-4-ium is sourced from PubChem (CID 149389137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).