4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid

C7H9F3N2O4 — CID 71434957

IUPAC4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESNC1CC(=O)NC(=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N2O2.C2HF3O2/c6-3-1-4(8)7-5(9)2-3;3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);(H,6,7)
InChIKeyGAIMFRDRJDPPET-UHFFFAOYSA-N
MW242.15 g/mol
LogP-0.62
Rot. Bonds

About 4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid

4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid (PubChem CID 71434957) has the molecular formula C7H9F3N2O4 and a molecular weight of 242.15 g/mol. Its IUPAC name is 4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid
PubChem CID71434957
Molecular FormulaC7H9F3N2O4
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESNC1CC(=O)NC(=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N2O2.C2HF3O2/c6-3-1-4(8)7-5(9)2-3;3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);(H,6,7)
InChIKeyGAIMFRDRJDPPET-UHFFFAOYSA-N
XLogP-0.62
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trifluoroacetic acid--3-aminopiperidine-2,6-dione (1/1)
CID 53447112
4-Amino2-piperidone trifluoroacetate
CID 57415893
(2,6-Dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate
CID 112758593
Piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 172831688
4-(Azetidin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 176403642
(S)-3-Aminopiperidine-2,6-dione 2,2,2-trifluoroacetate
CID 57376650
(4S)-4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid
CID 132352721
(2,6-Dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
CID 155981958
(2,6-Dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid)
CID 163342398

Frequently Asked Questions

What is the IUPAC name of 4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid (CID 71434957) is 4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid is NC1CC(=O)NC(=O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The InChIKey is GAIMFRDRJDPPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.C2HF3O2/c6-3-1-4(8)7-5(9)2-3;3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);(H,6,7).
What are the key properties of 4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid has a molecular weight of 242.15 g/mol, XLogP of -0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71434957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).