2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone

C15H19F2NO2 — CID 42891275

IUPAC2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)COc1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c1-10-4-3-5-11(2)18(10)15(19)9-20-14-7-6-12(16)8-13(14)17/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyJIVNTEWULIMARB-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.13
Rot. Bonds3

About 2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 42891275) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID42891275
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)COc1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c1-10-4-3-5-11(2)18(10)15(19)9-20-14-7-6-12(16)8-13(14)17/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyJIVNTEWULIMARB-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
2-(2,4-difluorophenoxy)-1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]ethanone
CID 124614028
2-(2,4-difluorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489358
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 1293391
1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone
CID 112788184
2-[2-(aminomethyl)phenoxy]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 30080646
2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95316685
2-(2-bromo-4-tert-butylphenoxy)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 2203457
2-(2,4-difluorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119471074
(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
CID 110762234
1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 43355976
2-(2,4-difluorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124694108

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 42891275) is 2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)COc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is JIVNTEWULIMARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-10-4-3-5-11(2)18(10)15(19)9-20-14-7-6-12(16)8-13(14)17/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 283.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 42891275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).