1-(3,5-dibromophenyl)piperazine

C10H12Br2N2 — CID 21331858

IUPAC1-(3,5-dibromophenyl)piperazine
SMILESBrc1cc(Br)cc(N2CCNCC2)c1
InChIInChI=1S/C10H12Br2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKeyLBCMQRUBXURELD-UHFFFAOYSA-N
MW320.03 g/mol
LogP2.62
Rot. Bonds1

About 1-(3,5-dibromophenyl)piperazine

1-(3,5-dibromophenyl)piperazine (PubChem CID 21331858) has the molecular formula C10H12Br2N2 and a molecular weight of 320.03 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)piperazine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)piperazine
PubChem CID21331858
Molecular FormulaC10H12Br2N2
Molecular Weight320.03 g/mol
Exact Mass317.94
IUPAC Name1-(3,5-dibromophenyl)piperazine
SMILESBrc1cc(Br)cc(N2CCNCC2)c1
InChIInChI=1S/C10H12Br2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKeyLBCMQRUBXURELD-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.03
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
1-(3,5-dibromophenyl)-5-methyl-1,4-diazepane
CID 165455601
1-bromo-4-methylbenzene;1-(4-methylphenyl)piperazine
CID 161139081
3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine
CID 160523140
1-(5-bromo-3-pyridinyl)-4-methylpiperazine;3,5-dibromopyridine;methane;1-methylpiperazine
CID 159974733
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776
3-[4-(azetidin-3-yl)piperazin-1-yl]-5-bromobenzonitrile
CID 102819118
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
CID 21071017
1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine
CID 176727239
1-(3-bromo-5-methylphenyl)pyrrolidine
CID 53216985
1-[4-bromo-3-(trifluoromethyl)phenyl]piperazine
CID 56984078

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)piperazine?
The IUPAC name of 1-(3,5-dibromophenyl)piperazine (CID 21331858) is 1-(3,5-dibromophenyl)piperazine.
What is the SMILES notation for 1-(3,5-dibromophenyl)piperazine?
The canonical SMILES for 1-(3,5-dibromophenyl)piperazine is Brc1cc(Br)cc(N2CCNCC2)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)piperazine?
The InChIKey is LBCMQRUBXURELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2.
What are the key properties of 1-(3,5-dibromophenyl)piperazine?
1-(3,5-dibromophenyl)piperazine has a molecular weight of 320.03 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)piperazine is sourced from PubChem (CID 21331858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).