diazanium;1-docosylpiperazine;dibromide

C26H62Br2N4 — CID 157305429

IUPACdiazanium;1-docosylpiperazine;dibromide
SMILESCCCCCCCCCCCCCCCCCCCCCCN1CCNCC1.[Br-].[Br-].[NH4+].[NH4+]
InChIInChI=1S/C26H54N2.2BrH.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-25-22-27-23-26-28;;;;/h27H,2-26H2,1H3;2*1H;2*1H3
InChIKeyBCKGNSPYSBREOY-UHFFFAOYSA-N
MW590.62 g/mol
LogP2.47
Rot. Bonds21

About diazanium;1-docosylpiperazine;dibromide

diazanium;1-docosylpiperazine;dibromide (PubChem CID 157305429) has the molecular formula C26H62Br2N4 and a molecular weight of 590.62 g/mol. Its IUPAC name is diazanium;1-docosylpiperazine;dibromide.

Molecular Properties

Compound Namediazanium;1-docosylpiperazine;dibromide
PubChem CID157305429
Molecular FormulaC26H62Br2N4
Molecular Weight590.62 g/mol
Exact Mass588.33
IUPAC Namediazanium;1-docosylpiperazine;dibromide
SMILESCCCCCCCCCCCCCCCCCCCCCCN1CCNCC1.[Br-].[Br-].[NH4+].[NH4+]
InChIInChI=1S/C26H54N2.2BrH.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-25-22-27-23-26-28;;;;/h27H,2-26H2,1H3;2*1H;2*1H3
InChIKeyBCKGNSPYSBREOY-UHFFFAOYSA-N
XLogP2.47
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.62
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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N-(3-piperazin-1-ylpropyl)hexan-1-amine
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1-octylaziridine
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1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
1-(3-decylsulfonylpropyl)piperazine
CID 150001783
hydron;1-propylpiperazine;dibromide
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CID 69027489

Frequently Asked Questions

What is the IUPAC name of diazanium;1-docosylpiperazine;dibromide?
The IUPAC name of diazanium;1-docosylpiperazine;dibromide (CID 157305429) is diazanium;1-docosylpiperazine;dibromide.
What is the SMILES notation for diazanium;1-docosylpiperazine;dibromide?
The canonical SMILES for diazanium;1-docosylpiperazine;dibromide is CCCCCCCCCCCCCCCCCCCCCCN1CCNCC1.[Br-].[Br-].[NH4+].[NH4+].
What is the InChIKey of diazanium;1-docosylpiperazine;dibromide?
The InChIKey is BCKGNSPYSBREOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N2.2BrH.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-25-22-27-23-26-28;;;;/h27H,2-26H2,1H3;2*1H;2*1H3.
What are the key properties of diazanium;1-docosylpiperazine;dibromide?
diazanium;1-docosylpiperazine;dibromide has a molecular weight of 590.62 g/mol, XLogP of 2.47, 21 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;1-docosylpiperazine;dibromide is sourced from PubChem (CID 157305429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).