2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone

C15H19Br2NO2 — CID 42885187

IUPAC2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C15H19Br2NO2/c1-2-12-5-3-4-8-18(12)15(19)10-20-14-7-6-11(16)9-13(14)17/h6-7,9,12H,2-5,8,10H2,1H3
InChIKeyALQCEBFSLBVLDS-UHFFFAOYSA-N
MW405.13 g/mol
LogP4.38
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone

2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 42885187) has the molecular formula C15H19Br2NO2 and a molecular weight of 405.13 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID42885187
Molecular FormulaC15H19Br2NO2
Molecular Weight405.13 g/mol
Exact Mass402.98
IUPAC Name2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C15H19Br2NO2/c1-2-12-5-3-4-8-18(12)15(19)10-20-14-7-6-11(16)9-13(14)17/h6-7,9,12H,2-5,8,10H2,1H3
InChIKeyALQCEBFSLBVLDS-UHFFFAOYSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.13
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889
2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112978935
2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 4051969
2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 17249017
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
2-(2,4-dibromophenoxy)-1-[(2S)-2-phenylpyrrolidin-1-yl]ethanone
CID 41293959
2-(2,4-dibromophenoxy)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 26700361
1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 78801167
2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone
CID 43266232
2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767008
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone (CID 42885187) is 2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is ALQCEBFSLBVLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO2/c1-2-12-5-3-4-8-18(12)15(19)10-20-14-7-6-11(16)9-13(14)17/h6-7,9,12H,2-5,8,10H2,1H3.
What are the key properties of 2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 405.13 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 42885187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).