1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid

C7H9F3N2O4 — CID 75481233

IUPAC1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)CNCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N2O2.C2HF3O2/c1-7-4(8)2-6-3-5(7)9;3-2(4,5)1(6)7/h6H,2-3H2,1H3;(H,6,7)
InChIKeyGTVXYVRYANCEGN-UHFFFAOYSA-N
MW242.15 g/mol
LogP-0.79
Rot. Bonds

About 1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid

1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid (PubChem CID 75481233) has the molecular formula C7H9F3N2O4 and a molecular weight of 242.15 g/mol. Its IUPAC name is 1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid
PubChem CID75481233
Molecular FormulaC7H9F3N2O4
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)CNCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N2O2.C2HF3O2/c1-7-4(8)2-6-3-5(7)9;3-2(4,5)1(6)7/h6H,2-3H2,1H3;(H,6,7)
InChIKeyGTVXYVRYANCEGN-UHFFFAOYSA-N
XLogP-0.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(2-oxopiperazin-1-yl)acetate; trifluoroacetic acid
CID 165456636
1-Piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 21836546
N,N-dimethyl-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
CID 21936835
1-(2-Fluoroethyl)-2-oxopiperazine trifluoroacetate
CID 22716476
1-Methylpiperazin-2-one trifluoroacetate
CID 46737077
1-Ethylpiperazin-2-one trifluoroacetate salt
CID 66941853
1-Butylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 67085070
1-Propylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 67085125
Piperazin-2-one 2,2,2-trifluoroacetate
CID 67358098
1-Ethylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 87064112
N-methyl-N-(2-piperazin-1-ylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 89106919
N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
CID 146455413

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid (CID 75481233) is 1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid is CN1C(=O)CNCC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid?
The InChIKey is GTVXYVRYANCEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.C2HF3O2/c1-7-4(8)2-6-3-5(7)9;3-2(4,5)1(6)7/h6H,2-3H2,1H3;(H,6,7).
What are the key properties of 1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid?
1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid has a molecular weight of 242.15 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine-2,6-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 75481233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).