1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid)

C10H14F6N2O5 — CID 87064112

IUPAC1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid)
SMILESCCN1CCNCC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.2C2HF3O2/c1-2-8-4-3-7-5-6(8)9;2*3-2(4,5)1(6)7/h7H,2-5H2,1H3;2*(H,6,7)
InChIKeyDPCPMFNXNZMJQK-UHFFFAOYSA-N
MW356.22 g/mol
LogP0.70
Rot. Bonds1

About 1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid)

1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87064112) has the molecular formula C10H14F6N2O5 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid)
PubChem CID87064112
Molecular FormulaC10H14F6N2O5
Molecular Weight356.22 g/mol
Exact Mass356.08
IUPAC Name1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid)
SMILESCCN1CCNCC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.2C2HF3O2/c1-2-8-4-3-7-5-6(8)9;2*3-2(4,5)1(6)7/h7H,2-5H2,1H3;2*(H,6,7)
InChIKeyDPCPMFNXNZMJQK-UHFFFAOYSA-N
XLogP0.70
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(2-oxopiperazin-1-yl)acetate; trifluoroacetic acid
CID 165456636
2,2,2-trifluoroacetic acid; 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 388777
1-Methylpiperazine-2,6-dione; trifluoroacetic acid
CID 75481233
1-Piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 21836546
1-(2-Fluoroethyl)-2-oxopiperazine trifluoroacetate
CID 22716476
2-Piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)
CID 22722759
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-(2-Methoxy-ethyl)-2-oxopiperazine trifluoroacetic acid salt
CID 67374896

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid) (CID 87064112) is 1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid) is CCN1CCNCC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is DPCPMFNXNZMJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.2C2HF3O2/c1-2-8-4-3-7-5-6(8)9;2*3-2(4,5)1(6)7/h7H,2-5H2,1H3;2*(H,6,7).
What are the key properties of 1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid)?
1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 356.22 g/mol, XLogP of 0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87064112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).