4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one

C8H13F3N2O2 — CID 126769443

IUPAC4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one
SMILESCC(O)(CN1CCNC(=O)C1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-7(15,8(9,10)11)5-13-3-2-12-6(14)4-13/h15H,2-5H2,1H3,(H,12,14)
InChIKeyNZAAPEILAKUXPI-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.27
Rot. Bonds2

About 4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one

4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one (PubChem CID 126769443) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one
PubChem CID126769443
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one
SMILESCC(O)(CN1CCNC(=O)C1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-7(15,8(9,10)11)5-13-3-2-12-6(14)4-13/h15H,2-5H2,1H3,(H,12,14)
InChIKeyNZAAPEILAKUXPI-UHFFFAOYSA-N
XLogP-0.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2,2-trifluoroethyl)piperazin-2-one
CID 67612876
2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid
CID 165466795
4-(methylsulfanylmethyl)piperazin-2-one
CID 123281664
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858
4-[(2R)-2-hydroxypropyl]piperazin-2-one
CID 92979224
4-(4-amino-3,3-dimethylbutyl)piperazin-2-one
CID 65249710
4-(aminomethyl)piperazin-2-one
CID 170083985
4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948
4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
4-[(2R)-2-aminopropyl]piperazin-2-one
CID 69001797
4-[(1-methylcyclopropyl)methyl]piperazin-2-one
CID 130831729
(2R)-3-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 124874587

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one (CID 126769443) is 4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one is CC(O)(CN1CCNC(=O)C1)C(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one?
The InChIKey is NZAAPEILAKUXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-7(15,8(9,10)11)5-13-3-2-12-6(14)4-13/h15H,2-5H2,1H3,(H,12,14).
What are the key properties of 4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one?
4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one has a molecular weight of 226.20 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 126769443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).