1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C10H14F6N2O — CID 103309302

IUPAC1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCC1CN(C(=O)C(C(F)(F)F)C(F)(F)F)C(C)CN1
InChIInChI=1S/C10H14F6N2O/c1-5-4-18(6(2)3-17-5)8(19)7(9(11,12)13)10(14,15)16/h5-7,17H,3-4H2,1-2H3
InChIKeyNGFODOXGZPPCCO-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.94
Rot. Bonds1

About 1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103309302) has the molecular formula C10H14F6N2O and a molecular weight of 292.22 g/mol. Its IUPAC name is 1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103309302
Molecular FormulaC10H14F6N2O
Molecular Weight292.22 g/mol
Exact Mass292.10
IUPAC Name1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCC1CN(C(=O)C(C(F)(F)F)C(F)(F)F)C(C)CN1
InChIInChI=1S/C10H14F6N2O/c1-5-4-18(6(2)3-17-5)8(19)7(9(11,12)13)10(14,15)16/h5-7,17H,3-4H2,1-2H3
InChIKeyNGFODOXGZPPCCO-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylpiperazin-1-yl)ethanone
CID 20691603
(2R)-2,5-dimethylpiperazine-1-carboxylic acid
CID 175405538
cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980051
N-[(2S)-1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-4,4-dimethyl-1-oxopentan-2-yl]acetamide
CID 134202421
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 64979552
1-(2,5-dimethylpiperazin-1-yl)pent-4-en-1-one
CID 64979472
1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603434
3-chloro-1-[(2R)-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 155448457
(2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid
CID 21115232
2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]but-2-enediamide
CID 70403200
2-methylbut-3-yn-2-yl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
CID 89229025

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103309302) is 1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is CC1CN(C(=O)C(C(F)(F)F)C(F)(F)F)C(C)CN1.
What is the InChIKey of 1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is NGFODOXGZPPCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O/c1-5-4-18(6(2)3-17-5)8(19)7(9(11,12)13)10(14,15)16/h5-7,17H,3-4H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 292.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103309302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).