3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one

C15H21BrN2O2 — CID 71940123

IUPAC3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1Br)N1CCN(CCO)CC1
InChIInChI=1S/C15H21BrN2O2/c16-14-4-2-1-3-13(14)5-6-15(20)18-9-7-17(8-10-18)11-12-19/h1-4,19H,5-12H2
InChIKeyGDCJXGKSZATBAD-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.52
Rot. Bonds5

About 3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one

3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one (PubChem CID 71940123) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
PubChem CID71940123
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1Br)N1CCN(CCO)CC1
InChIInChI=1S/C15H21BrN2O2/c16-14-4-2-1-3-13(14)5-6-15(20)18-9-7-17(8-10-18)11-12-19/h1-4,19H,5-12H2
InChIKeyGDCJXGKSZATBAD-UHFFFAOYSA-N
XLogP1.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 112838759
3-(2-bromophenyl)-1-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
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3-(2-bromophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905433
2-(2-bromophenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
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3-(4-bromothiophen-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 111108432
4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one
CID 166222857
3-(2-aminophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 120612183
3-(2-bromophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124590235
2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione;hydrochloride
CID 44782372
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575
3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119647509
1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115277240

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one (CID 71940123) is 3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one is O=C(CCc1ccccc1Br)N1CCN(CCO)CC1.
What is the InChIKey of 3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The InChIKey is GDCJXGKSZATBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c16-14-4-2-1-3-13(14)5-6-15(20)18-9-7-17(8-10-18)11-12-19/h1-4,19H,5-12H2.
What are the key properties of 3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one has a molecular weight of 341.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71940123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).