3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C10H17F3N2O2 — CID 126759955

IUPAC3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-7(2)14-3-5-15(6-4-14)9(17)8(16)10(11,12)13/h7-8,16H,3-6H2,1-2H3
InChIKeyKOMUWJUTQPBZPP-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.46
Rot. Bonds2

About 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 126759955) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID126759955
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-7(2)14-3-5-15(6-4-14)9(17)8(16)10(11,12)13/h7-8,16H,3-6H2,1-2H3
InChIKeyKOMUWJUTQPBZPP-UHFFFAOYSA-N
XLogP0.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 92860491
1-Cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-2-one
CID 56875313
3,3,3-Trifluoro-2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 124199408
3,3-Difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 126752719
3,3,3-Trifluoro-2-hydroxy-1-[4-(1-sulfanylethyl)piperazin-1-yl]propan-1-one
CID 138603784
1-(4-Ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 138607826
(2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane
CID 142562134
2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 149263327
3,3,3-Trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one
CID 155262197
2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 170263814
(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
CID 170341857
(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
CID 170349155

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 126759955) is 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)N1CCN(C(=O)C(O)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is KOMUWJUTQPBZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(2)14-3-5-15(6-4-14)9(17)8(16)10(11,12)13/h7-8,16H,3-6H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 126759955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).