bis(piperazin-1-ium) dibromide

C8H22Br2N4 — CID 66874146

IUPACbis(piperazin-1-ium) dibromide
SMILESC1C[NH2+]CCN1.C1C[NH2+]CCN1.[Br-].[Br-]
InChIInChI=1S/2C4H10N2.2BrH/c2*1-2-6-4-3-5-1;;/h2*5-6H,1-4H2;2*1H
InChIKeyUOHWQIKBXUPRMD-UHFFFAOYSA-N
MW334.10 g/mol
LogP-9.69
Rot. Bonds

About bis(piperazin-1-ium) dibromide

bis(piperazin-1-ium) dibromide (PubChem CID 66874146) has the molecular formula C8H22Br2N4 and a molecular weight of 334.10 g/mol. Its IUPAC name is bis(piperazin-1-ium) dibromide.

Molecular Properties

Compound Namebis(piperazin-1-ium) dibromide
PubChem CID66874146
Molecular FormulaC8H22Br2N4
Molecular Weight334.10 g/mol
Exact Mass332.02
IUPAC Namebis(piperazin-1-ium) dibromide
SMILESC1C[NH2+]CCN1.C1C[NH2+]CCN1.[Br-].[Br-]
InChIInChI=1S/2C4H10N2.2BrH/c2*1-2-6-4-3-5-1;;/h2*5-6H,1-4H2;2*1H
InChIKeyUOHWQIKBXUPRMD-UHFFFAOYSA-N
XLogP-9.69
TPSA57.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.10
LogP ≤ 5-9.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(piperazin-1-ium) dibromide?
The IUPAC name of bis(piperazin-1-ium) dibromide (CID 66874146) is bis(piperazin-1-ium) dibromide.
What is the SMILES notation for bis(piperazin-1-ium) dibromide?
The canonical SMILES for bis(piperazin-1-ium) dibromide is C1C[NH2+]CCN1.C1C[NH2+]CCN1.[Br-].[Br-].
What is the InChIKey of bis(piperazin-1-ium) dibromide?
The InChIKey is UOHWQIKBXUPRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10N2.2BrH/c2*1-2-6-4-3-5-1;;/h2*5-6H,1-4H2;2*1H.
What are the key properties of bis(piperazin-1-ium) dibromide?
bis(piperazin-1-ium) dibromide has a molecular weight of 334.10 g/mol, XLogP of -9.69, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(piperazin-1-ium) dibromide is sourced from PubChem (CID 66874146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).