2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride

C14H18BrClN2O2 — CID 2909182

IUPAC2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride
SMILESCC(=O)N1CCN(CC(=O)c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C14H17BrN2O2.ClH/c1-11(18)17-8-6-16(7-9-17)10-14(19)12-2-4-13(15)5-3-12;/h2-5H,6-10H2,1H3;1H
InChIKeyGEHHERUTMNEKAU-UHFFFAOYSA-N
MW361.67 g/mol
LogP2.22
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride

2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride (PubChem CID 2909182) has the molecular formula C14H18BrClN2O2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride
PubChem CID2909182
Molecular FormulaC14H18BrClN2O2
Molecular Weight361.67 g/mol
Exact Mass360.02
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride
SMILESCC(=O)N1CCN(CC(=O)c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C14H17BrN2O2.ClH/c1-11(18)17-8-6-16(7-9-17)10-14(19)12-2-4-13(15)5-3-12;/h2-5H,6-10H2,1H3;1H
InChIKeyGEHHERUTMNEKAU-UHFFFAOYSA-N
XLogP2.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.67
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride (CID 2909182) is 2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride is CC(=O)N1CCN(CC(=O)c2ccc(Br)cc2)CC1.Cl.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride?
The InChIKey is GEHHERUTMNEKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2.ClH/c1-11(18)17-8-6-16(7-9-17)10-14(19)12-2-4-13(15)5-3-12;/h2-5H,6-10H2,1H3;1H.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride?
2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride has a molecular weight of 361.67 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;hydrochloride is sourced from PubChem (CID 2909182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).