2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone

C15H19Cl2NO2 — CID 112786341

IUPAC2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)COc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H19Cl2NO2/c1-10-6-11(2)8-18(7-10)14(19)9-20-15-12(16)4-3-5-13(15)17/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFYHXGMISBUYSBF-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.88
Rot. Bonds3

About 2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 112786341) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID112786341
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)COc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H19Cl2NO2/c1-10-6-11(2)8-18(7-10)14(19)9-20-15-12(16)4-3-5-13(15)17/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFYHXGMISBUYSBF-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2363984
1-[2-(2,6-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 119354980
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
2-(2-bromo-4-chlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786449
4-[2-(2,6-dichlorophenoxy)acetyl]piperazine-1-carbaldehyde
CID 3424511
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
CID 112788689
2-(4-chloro-2-methylphenoxy)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 897056
2-(2-chloro-6-fluorophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 39807762
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125410
2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 60594267

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 112786341) is 2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(C(=O)COc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is FYHXGMISBUYSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-10-6-11(2)8-18(7-10)14(19)9-20-15-12(16)4-3-5-13(15)17/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 316.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 112786341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).