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

C14H23F3N2O — CID 62968447

IUPAC4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2O/c1-11-2-3-13(20)12(8-11)9-18-4-6-19(7-5-18)10-14(15,16)17/h11-12H,2-10H2,1H3
InChIKeySNDAGXOUQPBKNH-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.17
Rot. Bonds3

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

4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one (PubChem CID 62968447) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one
PubChem CID62968447
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2O/c1-11-2-3-13(20)12(8-11)9-18-4-6-19(7-5-18)10-14(15,16)17/h11-12H,2-10H2,1H3
InChIKeySNDAGXOUQPBKNH-UHFFFAOYSA-N
XLogP2.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

Cyclohexanone, dihydrochloride
CID 382272
2-((Dimethylamino)methyl)-6-(1-piperidinylmethyl)cyclohexanone
CID 382273
1-Methyl-3-(tridecafluorohexyl)piperidin-4-one
CID 21731585
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
4-Methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 55094587
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 55106351
4-Methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611703
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one (CID 62968447) is 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one is CC1CCC(=O)C(CN2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one?
The InChIKey is SNDAGXOUQPBKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-11-2-3-13(20)12(8-11)9-18-4-6-19(7-5-18)10-14(15,16)17/h11-12H,2-10H2,1H3.
What are the key properties of 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one?
4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one has a molecular weight of 292.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-one is sourced from PubChem (CID 62968447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).