3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one

C9H15F3N2O2 — CID 143767696

IUPAC3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one
SMILESCC(CO)C(=O)N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-6(5-15)8(16)14-3-2-13-7(4-14)9(10,11)12/h6-7,13,15H,2-5H2,1H3
InChIKeyRQIWGZPFNRWHMU-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.02
Rot. Bonds2

About 3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one

3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one (PubChem CID 143767696) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one
PubChem CID143767696
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one
SMILESCC(CO)C(=O)N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-6(5-15)8(16)14-3-2-13-7(4-14)9(10,11)12/h6-7,13,15H,2-5H2,1H3
InChIKeyRQIWGZPFNRWHMU-UHFFFAOYSA-N
XLogP-0.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide
CID 164641902
(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one
CID 25054429
2,2,2-Trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 59815604
2,2-Difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one
CID 121299282
3-Hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
CID 143767640
2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 166752840
2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 166752845
2-Amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one
CID 74422085
2-amino-3,3,3-trifluoro-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 79811250
2,2,2-Trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone
CID 82245241
3-(2,2-Difluoroethoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 103206295
3-(2,2-difluoroethoxy)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 103206296

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one (CID 143767696) is 3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one is CC(CO)C(=O)N1CCNC(C(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The InChIKey is RQIWGZPFNRWHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-6(5-15)8(16)14-3-2-13-7(4-14)9(10,11)12/h6-7,13,15H,2-5H2,1H3.
What are the key properties of 3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one has a molecular weight of 240.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 143767696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).