1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C9H15F3N2O — CID 126758609

IUPAC1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(F)(F)F)C(C)C1
InChIInChI=1S/C9H15F3N2O/c1-7-5-13(8(2)15)3-4-14(7)6-9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyWKNCQSWJTQIEHN-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.10
Rot. Bonds1

About 1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 126758609) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID126758609
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(F)(F)F)C(C)C1
InChIInChI=1S/C9H15F3N2O/c1-7-5-13(8(2)15)3-4-14(7)6-9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyWKNCQSWJTQIEHN-UHFFFAOYSA-N
XLogP1.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
CID 550259
1-(3,4,5-Trimethylpiperazin-1-yl)propan-1-one
CID 107241
1-(2,4,6-Trimethylpiperazin-1-yl)propan-1-one
CID 107242
2,2-Dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 45505225
1-(4-Ethyl-1-piperazinyl)-2,2,2-trifluoroethanone
CID 4079270
2,2,3,3,3-Pentafluoro-1-(4-methyl-piperazin-1-yl)-propan-1-one
CID 10105941
2,2,2-Trifluoro-1-(3-isocyanatopiperidin-1-yl)ethanone
CID 2778966
1-(4,4-Dimethylpiperazin-4-ium-1-yl)-2,2,2-trifluoroethanone
CID 13994781
Ethanone, 1-[4-(2-fluoropropyl)-1-piperazinyl]-
CID 45119588
1-[4-(2,2-Difluoropropyl)piperazin-1-yl]ethanone
CID 51357995
1-[4-(3,3-Difluoropropyl)piperazin-1-yl]ethanone
CID 51358000
1,4-Bis(2,2,3,3,3-pentafluoro-1-oxopropyl)piperazine
CID 621115

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 126758609) is 1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(F)(F)F)C(C)C1.
What is the InChIKey of 1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is WKNCQSWJTQIEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-7-5-13(8(2)15)3-4-14(7)6-9(10,11)12/h7H,3-6H2,1-2H3.
What are the key properties of 1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 224.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 126758609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).