1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid

C10H17F3N2O3 — CID 67085070

IUPAC1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid
SMILESCCCCN1CCNCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-2-3-5-10-6-4-9-7-8(10)11;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeyLWHREBSRUGRBRT-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.85
Rot. Bonds3

About 1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid

1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 67085070) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID67085070
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid
SMILESCCCCN1CCNCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-2-3-5-10-6-4-9-7-8(10)11;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeyLWHREBSRUGRBRT-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid (CID 67085070) is 1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid is CCCCN1CCNCC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is LWHREBSRUGRBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2HF3O2/c1-2-3-5-10-6-4-9-7-8(10)11;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7).
What are the key properties of 1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid?
1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpiperazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67085070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).