1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C16H20F3NO — CID 60650789

IUPAC1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCCC(C(F)(F)F)C2)c(C)c1
InChIInChI=1S/C16H20F3NO/c1-11-5-6-14(12(2)8-11)15(21)10-20-7-3-4-13(9-20)16(17,18)19/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyRKNPZWFIJVJHMW-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.76
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone

1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 60650789) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID60650789
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCCC(C(F)(F)F)C2)c(C)c1
InChIInChI=1S/C16H20F3NO/c1-11-5-6-14(12(2)8-11)15(21)10-20-7-3-4-13(9-20)16(17,18)19/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyRKNPZWFIJVJHMW-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
1-(3,4-dihydroxyphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 60650760
1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 121200226
2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 90643116
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-methylpiperidin-4-one
CID 114501233
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 103535673
1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836618
1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960703
1-(2,5-dimethylphenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63622261
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 55215426

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 60650789) is 1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone is Cc1ccc(C(=O)CN2CCCC(C(F)(F)F)C2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is RKNPZWFIJVJHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-11-5-6-14(12(2)8-11)15(21)10-20-7-3-4-13(9-20)16(17,18)19/h5-6,8,13H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 299.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 60650789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).