1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone

C15H18F3NO — CID 78768057

IUPAC1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCC1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3NO/c1-11-5-7-19(8-6-11)14(20)10-12-3-2-4-13(9-12)15(16,17)18/h2-4,9,11H,5-8,10H2,1H3
InChIKeyPXUVHMHAUYOJFM-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.51
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone

1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 78768057) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID78768057
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCC1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3NO/c1-11-5-7-19(8-6-11)14(20)10-12-3-2-4-13(9-12)15(16,17)18/h2-4,9,11H,5-8,10H2,1H3
InChIKeyPXUVHMHAUYOJFM-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 134061591
1-(3-aminopyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119482994
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
5-methyl-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45248339
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 51968428
1-[4-(2-methylphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 112766387
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113175111
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 124690087
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 125119581
4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 110919533
1-(5,6,8,9-tetrahydro-[1,3]dioxolo[4,5-h][3]benzazepin-7-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 21390568
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91790975

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 78768057) is 1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone is CC1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is PXUVHMHAUYOJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-11-5-7-19(8-6-11)14(20)10-12-3-2-4-13(9-12)15(16,17)18/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 285.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 78768057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).