1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine

C16H24BrFN2 — CID 107603940

IUPAC1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1c(F)cccc1Br
InChIInChI=1S/C16H24BrFN2/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
InChIKeyNHSCYYRGWURSQY-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.19
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine

1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine (PubChem CID 107603940) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
PubChem CID107603940
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1c(F)cccc1Br
InChIInChI=1S/C16H24BrFN2/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
InChIKeyNHSCYYRGWURSQY-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603860
1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603926
1-(2,6-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603846
2-ethyl-1-(2-fluoro-4-methylphenyl)-5-(2-methylpropyl)piperazine
CID 64934982
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
1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 104781751
1-(3-bromo-2-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 107639844
2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64945930
2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64930546
1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946904

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine (CID 107603940) is 1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The InChIKey is NHSCYYRGWURSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/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-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine has a molecular weight of 343.28 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 107603940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).