2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone

C14H17Br2NO2 — CID 60594267

IUPAC2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2c(Br)cccc2Br)CC1
InChIInChI=1S/C14H17Br2NO2/c1-10-5-7-17(8-6-10)13(18)9-19-14-11(15)3-2-4-12(14)16/h2-4,10H,5-9H2,1H3
InChIKeyVIROPUUCXMCPPM-UHFFFAOYSA-N
MW391.10 g/mol
LogP3.85
Rot. Bonds3

About 2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone

2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 60594267) has the molecular formula C14H17Br2NO2 and a molecular weight of 391.10 g/mol. Its IUPAC name is 2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID60594267
Molecular FormulaC14H17Br2NO2
Molecular Weight391.10 g/mol
Exact Mass388.96
IUPAC Name2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2c(Br)cccc2Br)CC1
InChIInChI=1S/C14H17Br2NO2/c1-10-5-7-17(8-6-10)13(18)9-19-14-11(15)3-2-4-12(14)16/h2-4,10H,5-9H2,1H3
InChIKeyVIROPUUCXMCPPM-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 730217
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786341
2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one
CID 126837271
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
1-[(4S)-4-methylazepan-1-yl]-2-(3-methylsulfonylphenoxy)ethanone
CID 95591231
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
CID 119376715
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 61390455
2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 126420962

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone (CID 60594267) is 2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)COc2c(Br)cccc2Br)CC1.
What is the InChIKey of 2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is VIROPUUCXMCPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO2/c1-10-5-7-17(8-6-10)13(18)9-19-14-11(15)3-2-4-12(14)16/h2-4,10H,5-9H2,1H3.
What are the key properties of 2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 391.10 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 60594267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).