3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid

C8H11F3N2O4 — CID 69186522

IUPAC3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)CCC(N)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O2.C2HF3O2/c1-8-5(9)3-2-4(7)6(8)10;3-2(4,5)1(6)7/h4H,2-3,7H2,1H3;(H,6,7)
InChIKeyFFXPMPLTRUKUNM-UHFFFAOYSA-N
MW256.18 g/mol
LogP-0.27
Rot. Bonds

About 3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid

3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid (PubChem CID 69186522) has the molecular formula C8H11F3N2O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is 3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid
PubChem CID69186522
Molecular FormulaC8H11F3N2O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Name3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)CCC(N)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O2.C2HF3O2/c1-8-5(9)3-2-4(7)6(8)10;3-2(4,5)1(6)7/h4H,2-3,7H2,1H3;(H,6,7)
InChIKeyFFXPMPLTRUKUNM-UHFFFAOYSA-N
XLogP-0.27
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid (CID 69186522) is 3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid is CN1C(=O)CCC(N)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The InChIKey is FFXPMPLTRUKUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.C2HF3O2/c1-8-5(9)3-2-4(7)6(8)10;3-2(4,5)1(6)7/h4H,2-3,7H2,1H3;(H,6,7).
What are the key properties of 3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid has a molecular weight of 256.18 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69186522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).