2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone

C8H12F3NO — CID 3464522

IUPAC2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c1-6-2-4-12(5-3-6)7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyZOADUSAZHIFPMK-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.81
Rot. Bonds

About 2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 3464522) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID3464522
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c1-6-2-4-12(5-3-6)7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyZOADUSAZHIFPMK-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3r)-1-Acetyl-3-Methylpiperidine
CID 449120
Ethanone, 1-(3-methyl-1-piperidinyl)-
CID 107304
1-Trifluoroacetyl piperidine
CID 5181830
1-Acetyl-4-methylpiperidine
CID 78341
1-(4-Methylpiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone
CID 45815919
1-(4-Fluoro-4-methylpiperidin-1-yl)ethanone
CID 67570230
2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
3,3,3-Trifluoro-1-(piperidin-1-yl)-2-(trifluoromethyl)propan-1-one
CID 4328661
1-(2,2,2-Trifluoroacetyl)piperidine-4-carbonitrile
CID 12923177
1-(3,3,3-Trifluoropropanoyl)piperidine
CID 14383592
1-(4,4-Difluoropiperidin-1-yl)ethanone
CID 23402906

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone (CID 3464522) is 2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is ZOADUSAZHIFPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-6-2-4-12(5-3-6)7(13)8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 195.18 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3464522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).