2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone

C16H23BrN2O — CID 64977891

IUPAC2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
SMILESCCC1CN(C(=O)Cc2ccc(Br)cc2)C(CC)CN1
InChIInChI=1S/C16H23BrN2O/c1-3-14-11-19(15(4-2)10-18-14)16(20)9-12-5-7-13(17)8-6-12/h5-8,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyVDNAXLONNZAVBR-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.98
Rot. Bonds4

About 2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone

2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone (PubChem CID 64977891) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
PubChem CID64977891
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
SMILESCCC1CN(C(=O)Cc2ccc(Br)cc2)C(CC)CN1
InChIInChI=1S/C16H23BrN2O/c1-3-14-11-19(15(4-2)10-18-14)16(20)9-12-5-7-13(17)8-6-12/h5-8,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyVDNAXLONNZAVBR-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone
CID 64978280
(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107973323
(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107729955
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
4-[2-(4-bromophenyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067758
2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64978375
1-(2,5-diethylpiperazin-1-yl)octan-1-one
CID 64978357
(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 64978281
1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 64978524
(4-bromo-1-methylpyrrol-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 64978537
1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 64978172
(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 64978414

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone (CID 64977891) is 2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone is CCC1CN(C(=O)Cc2ccc(Br)cc2)C(CC)CN1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone?
The InChIKey is VDNAXLONNZAVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-14-11-19(15(4-2)10-18-14)16(20)9-12-5-7-13(17)8-6-12/h5-8,14-15,18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone?
2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone has a molecular weight of 339.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 64977891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).