1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine

C12H15BrClFN2 — CID 107617305

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine
SMILESCCC1CNCCN1c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2/c1-2-9-7-16-3-4-17(9)12-10(13)5-8(15)6-11(12)14/h5-6,9,16H,2-4,7H2,1H3
InChIKeyACAZISVVBYFNSA-UHFFFAOYSA-N
MW321.62 g/mol
LogP3.43
Rot. Bonds2

About 1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine

1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine (PubChem CID 107617305) has the molecular formula C12H15BrClFN2 and a molecular weight of 321.62 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine
PubChem CID107617305
Molecular FormulaC12H15BrClFN2
Molecular Weight321.62 g/mol
Exact Mass320.01
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine
SMILESCCC1CNCCN1c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2/c1-2-9-7-16-3-4-17(9)12-10(13)5-8(15)6-11(12)14/h5-6,9,16H,2-4,7H2,1H3
InChIKeyACAZISVVBYFNSA-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.62
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(propan-2-yl)aniline
CID 43236856
(2S)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11514137
(2S)-1-(2-chloro-5-fluorophenyl)-2-methylpiperazine
CID 11514138
(2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine
CID 11572148
(2R)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11579504
(2R)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine
CID 11637195
(2R)-1-(2-chloro-5-fluorophenyl)-2-methylpiperazine
CID 11644292
4-bromo-2-chloro-6-fluoro-N-methylaniline
CID 21161243
1-(2-Chloro-4-fluorophenyl)-3-methylpiperazine
CID 24763524
1-(2-Chloro-4-fluorophenyl)-2-methylpiperazine
CID 64939001
1-(3-Bromo-2-chloro-5-fluorophenyl)piperazine
CID 69244564
1-(2-Chloro-3-fluorophenyl)-2-methylpiperazine
CID 69512492

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine (CID 107617305) is 1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine is CCC1CNCCN1c1c(Cl)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine?
The InChIKey is ACAZISVVBYFNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClFN2/c1-2-9-7-16-3-4-17(9)12-10(13)5-8(15)6-11(12)14/h5-6,9,16H,2-4,7H2,1H3.
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine?
1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine has a molecular weight of 321.62 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine is sourced from PubChem (CID 107617305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).