2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid

C9H15F3N2O4 — CID 172848533

IUPAC2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2HF3O2/c1-11-6-7(10)9-4-2-8-3-5-9;3-2(4,5)1(6)7/h8H,2-6H2,1H3;(H,6,7)
InChIKeyXTGIYIDTODXVLN-UHFFFAOYSA-N
MW272.22 g/mol
LogP-0.30
Rot. Bonds2

About 2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid

2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 172848533) has the molecular formula C9H15F3N2O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID172848533
Molecular FormulaC9H15F3N2O4
Molecular Weight272.22 g/mol
Exact Mass272.10
IUPAC Name2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2HF3O2/c1-11-6-7(10)9-4-2-8-3-5-9;3-2(4,5)1(6)7/h8H,2-6H2,1H3;(H,6,7)
InChIKeyXTGIYIDTODXVLN-UHFFFAOYSA-N
XLogP-0.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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 2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid (CID 172848533) is 2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid is COCC(=O)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is XTGIYIDTODXVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C2HF3O2/c1-11-6-7(10)9-4-2-8-3-5-9;3-2(4,5)1(6)7/h8H,2-6H2,1H3;(H,6,7).
What are the key properties of 2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 272.22 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172848533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).