1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine

C14H21BrN2 — CID 81287006

IUPAC1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine
SMILESCCc1cc(Br)ccc1N1CCNCC1CC
InChIInChI=1S/C14H21BrN2/c1-3-11-9-12(15)5-6-14(11)17-8-7-16-10-13(17)4-2/h5-6,9,13,16H,3-4,7-8,10H2,1-2H3
InChIKeyVBKRTNUNONDXPR-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.20
Rot. Bonds3

About 1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine

1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine (PubChem CID 81287006) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine
PubChem CID81287006
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine
SMILESCCc1cc(Br)ccc1N1CCNCC1CC
InChIInChI=1S/C14H21BrN2/c1-3-11-9-12(15)5-6-14(11)17-8-7-16-10-13(17)4-2/h5-6,9,13,16H,3-4,7-8,10H2,1-2H3
InChIKeyVBKRTNUNONDXPR-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine
CID 81289528
1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 81288854
1-(2-chloro-4-methylphenyl)-2-ethylpiperazine
CID 64931290
2-(2-ethylpiperazin-1-yl)-5-nitrophenol
CID 145202698
9-bromo-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84645293
2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine
CID 64938636
2-ethyl-1-(4-iodophenyl)piperazine
CID 64931488
1-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpiperazine
CID 107617305
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethylpiperazine
CID 64939190
4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one
CID 138472332
(2S)-2-ethyl-1-(5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride
CID 23402415
1-(3-bromo-2-pyridinyl)-2-ethylpiperazine
CID 63600954

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine (CID 81287006) is 1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine is CCc1cc(Br)ccc1N1CCNCC1CC.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine?
The InChIKey is VBKRTNUNONDXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-3-11-9-12(15)5-6-14(11)17-8-7-16-10-13(17)4-2/h5-6,9,13,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine?
1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine has a molecular weight of 297.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine is sourced from PubChem (CID 81287006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).