2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

C15H19Br2NO3 — CID 62373044

IUPAC2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Br)cc1Br)N1CCCC(CCO)C1
InChIInChI=1S/C15H19Br2NO3/c16-12-3-4-14(13(17)8-12)21-10-15(20)18-6-1-2-11(9-18)5-7-19/h3-4,8,11,19H,1-2,5-7,9-10H2
InChIKeyGLMIQSIUMUYAOX-UHFFFAOYSA-N
MW421.13 g/mol
LogP3.21
Rot. Bonds5

About 2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 62373044) has the molecular formula C15H19Br2NO3 and a molecular weight of 421.13 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID62373044
Molecular FormulaC15H19Br2NO3
Molecular Weight421.13 g/mol
Exact Mass418.97
IUPAC Name2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Br)cc1Br)N1CCCC(CCO)C1
InChIInChI=1S/C15H19Br2NO3/c16-12-3-4-14(13(17)8-12)21-10-15(20)18-6-1-2-11(9-18)5-7-19/h3-4,8,11,19H,1-2,5-7,9-10H2
InChIKeyGLMIQSIUMUYAOX-UHFFFAOYSA-N
XLogP3.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.13
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dibromophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403399
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
2-(4-fluorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371982
2-(4-chloro-3-methylphenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356775
2-(3-chlorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371114
(4-bromo-2-sulfanylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229127
2-(2-bromo-4-fluorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119488313
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide
CID 9406362
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone
CID 119485838
2-(2,4-dibromophenoxy)-1-[(2S)-2-phenylpyrrolidin-1-yl]ethanone
CID 41293959
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 62373044) is 2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is O=C(COc1ccc(Br)cc1Br)N1CCCC(CCO)C1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is GLMIQSIUMUYAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO3/c16-12-3-4-14(13(17)8-12)21-10-15(20)18-6-1-2-11(9-18)5-7-19/h3-4,8,11,19H,1-2,5-7,9-10H2.
What are the key properties of 2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 421.13 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62373044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).