4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one

C10H17F3N2O2 — CID 79204425

IUPAC4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8-14-3-5-15(6-4-14)9(17)2-1-7-16/h16H,1-8H2
InChIKeyCNALTSAIOFJTNN-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.47
Rot. Bonds4

About 4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one

4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one (PubChem CID 79204425) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
PubChem CID79204425
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8-14-3-5-15(6-4-14)9(17)2-1-7-16/h16H,1-8H2
InChIKeyCNALTSAIOFJTNN-UHFFFAOYSA-N
XLogP0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one (CID 79204425) is 4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one is O=C(CCCO)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one?
The InChIKey is CNALTSAIOFJTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)8-14-3-5-15(6-4-14)9(17)2-1-7-16/h16H,1-8H2.
What are the key properties of 4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one?
4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 79204425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).