2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride

C16H24BrClN2O3 — CID 119400587

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride
SMILESCCOc1cc(Br)c(CC(=O)N2CCNCC2)cc1OCC.Cl
InChIInChI=1S/C16H23BrN2O3.ClH/c1-3-21-14-9-12(13(17)11-15(14)22-4-2)10-16(20)19-7-5-18-6-8-19;/h9,11,18H,3-8,10H2,1-2H3;1H
InChIKeyZGAZTLKSIVTXPH-UHFFFAOYSA-N
MW407.74 g/mol
LogP2.64
Rot. Bonds6

About 2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride

2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119400587) has the molecular formula C16H24BrClN2O3 and a molecular weight of 407.74 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119400587
Molecular FormulaC16H24BrClN2O3
Molecular Weight407.74 g/mol
Exact Mass406.07
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride
SMILESCCOc1cc(Br)c(CC(=O)N2CCNCC2)cc1OCC.Cl
InChIInChI=1S/C16H23BrN2O3.ClH/c1-3-21-14-9-12(13(17)11-15(14)22-4-2)10-16(20)19-7-5-18-6-8-19;/h9,11,18H,3-8,10H2,1-2H3;1H
InChIKeyZGAZTLKSIVTXPH-UHFFFAOYSA-N
XLogP2.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-bromo-4,5-diethoxyphenyl)ethanone;hydrochloride
CID 119409776
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
CID 82134628
2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441604
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
2-(2,5-dibromo-4-methoxyphenoxy)-1-piperazin-1-ylethanone
CID 79403143
2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497
(3-bromo-4-ethoxy-5-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400084
4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933648
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 66538332
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
1-(3-bromo-4-ethoxyphenyl)sulfonylpiperazine
CID 119961758

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride (CID 119400587) is 2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride is CCOc1cc(Br)c(CC(=O)N2CCNCC2)cc1OCC.Cl.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is ZGAZTLKSIVTXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3.ClH/c1-3-21-14-9-12(13(17)11-15(14)22-4-2)10-16(20)19-7-5-18-6-8-19;/h9,11,18H,3-8,10H2,1-2H3;1H.
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride?
2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 407.74 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119400587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).