3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one

C15H25F3N2O — CID 64736790

IUPAC3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one
SMILESCC1CC(=O)C(CN2CCN(CC(F)(F)F)CC2)C(C)C1
InChIInChI=1S/C15H25F3N2O/c1-11-7-12(2)13(14(21)8-11)9-19-3-5-20(6-4-19)10-15(16,17)18/h11-13H,3-10H2,1-2H3
InChIKeyFCWNNUSKIZIMQH-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.42
Rot. Bonds3

About 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one

3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one (PubChem CID 64736790) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one
PubChem CID64736790
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one
SMILESCC1CC(=O)C(CN2CCN(CC(F)(F)F)CC2)C(C)C1
InChIInChI=1S/C15H25F3N2O/c1-11-7-12(2)13(14(21)8-11)9-19-3-5-20(6-4-19)10-15(16,17)18/h11-13H,3-10H2,1-2H3
InChIKeyFCWNNUSKIZIMQH-UHFFFAOYSA-N
XLogP2.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one with MolForge

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Related Compounds

1,1,1-Trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one
CID 58236002
1-[3-(4-Ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone
CID 143662212
3-Methyl-2-(piperidin-1-ylmethyl)-6-propan-2-ylcyclohexan-1-one
CID 55838
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 55106351
4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611706
4-Propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611707
4-Ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611872
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62611873
4-Ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62613369
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62613370
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704327
4-Propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62704514

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one?
The IUPAC name of 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one (CID 64736790) is 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one.
What is the SMILES notation for 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one?
The canonical SMILES for 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one is CC1CC(=O)C(CN2CCN(CC(F)(F)F)CC2)C(C)C1.
What is the InChIKey of 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one?
The InChIKey is FCWNNUSKIZIMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-11-7-12(2)13(14(21)8-11)9-19-3-5-20(6-4-19)10-15(16,17)18/h11-13H,3-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one?
3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one has a molecular weight of 306.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one is sourced from PubChem (CID 64736790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).