1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine

C16H24Br2N2 — CID 107603860

IUPAC1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1c(Br)cccc1Br
InChIInChI=1S/C16H24Br2N2/c1-4-13-9-19-12(8-11(2)3)10-20(13)16-14(17)6-5-7-15(16)18/h5-7,11-13,19H,4,8-10H2,1-3H3
InChIKeyGEYFTMSXYXPCIQ-UHFFFAOYSA-N
MW404.19 g/mol
LogP4.81
Rot. Bonds4

About 1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine

1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine (PubChem CID 107603860) has the molecular formula C16H24Br2N2 and a molecular weight of 404.19 g/mol. Its IUPAC name is 1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
PubChem CID107603860
Molecular FormulaC16H24Br2N2
Molecular Weight404.19 g/mol
Exact Mass402.03
IUPAC Name1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1c(Br)cccc1Br
InChIInChI=1S/C16H24Br2N2/c1-4-13-9-19-12(8-11(2)3)10-20(13)16-14(17)6-5-7-15(16)18/h5-7,11-13,19H,4,8-10H2,1-3H3
InChIKeyGEYFTMSXYXPCIQ-UHFFFAOYSA-N
XLogP4.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.19
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603940
1-(2,6-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603846
1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603926
2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine
CID 64934538
1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64936226
2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64932153
2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64930546
1-(3-bromo-2-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 107639844
2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine
CID 64941203
2-ethyl-1-(2-fluoro-4-methylphenyl)-5-(2-methylpropyl)piperazine
CID 64934982
2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64945930
1-(1,3-dimethylpyrazol-4-yl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 102807507

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine (CID 107603860) is 1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1c1c(Br)cccc1Br.
What is the InChIKey of 1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The InChIKey is GEYFTMSXYXPCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2N2/c1-4-13-9-19-12(8-11(2)3)10-20(13)16-14(17)6-5-7-15(16)18/h5-7,11-13,19H,4,8-10H2,1-3H3.
What are the key properties of 1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine has a molecular weight of 404.19 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 107603860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).