1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid

C9H15F3N2O4 — CID 67374896

IUPAC1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCNCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2HF3O2/c1-11-5-4-9-3-2-8-6-7(9)10;3-2(4,5)1(6)7/h8H,2-6H2,1H3;(H,6,7)
InChIKeyXQHJJALKRCMTKG-UHFFFAOYSA-N
MW272.22 g/mol
LogP-0.30
Rot. Bonds3

About 1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid

1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 67374896) has the molecular formula C9H15F3N2O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID67374896
Molecular FormulaC9H15F3N2O4
Molecular Weight272.22 g/mol
Exact Mass272.10
IUPAC Name1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCNCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2HF3O2/c1-11-5-4-9-3-2-8-6-7(9)10;3-2(4,5)1(6)7/h8H,2-6H2,1H3;(H,6,7)
InChIKeyXQHJJALKRCMTKG-UHFFFAOYSA-N
XLogP-0.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid (CID 67374896) is 1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid is COCCN1CCNCC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is XQHJJALKRCMTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C2HF3O2/c1-11-5-4-9-3-2-8-6-7(9)10;3-2(4,5)1(6)7/h8H,2-6H2,1H3;(H,6,7).
What are the key properties of 1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 272.22 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)piperazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67374896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).