bis(4-piperazin-1-ylphenyl)diazene

C20H26N6 — CID 25170712

IUPACbis(4-piperazin-1-ylphenyl)diazene
SMILESc1cc(N2CCNCC2)ccc1/N=N/c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C20H26N6/c1-5-19(25-13-9-21-10-14-25)6-2-17(1)23-24-18-3-7-20(8-4-18)26-15-11-22-12-16-26/h1-8,21-22H,9-16H2/b24-23+
InChIKeyNQGKORSFLBCANS-WCWDXBQESA-N
MW350.47 g/mol
LogP2.92
Rot. Bonds4

About bis(4-piperazin-1-ylphenyl)diazene

bis(4-piperazin-1-ylphenyl)diazene (PubChem CID 25170712) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is bis(4-piperazin-1-ylphenyl)diazene.

Molecular Properties

Compound Namebis(4-piperazin-1-ylphenyl)diazene
PubChem CID25170712
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Namebis(4-piperazin-1-ylphenyl)diazene
SMILESc1cc(N2CCNCC2)ccc1/N=N/c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C20H26N6/c1-5-19(25-13-9-21-10-14-25)6-2-17(1)23-24-18-3-7-20(8-4-18)26-15-11-22-12-16-26/h1-8,21-22H,9-16H2/b24-23+
InChIKeyNQGKORSFLBCANS-WCWDXBQESA-N
XLogP2.92
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-piperazin-1-ylphenyl)diazene?
The IUPAC name of bis(4-piperazin-1-ylphenyl)diazene (CID 25170712) is bis(4-piperazin-1-ylphenyl)diazene.
What is the SMILES notation for bis(4-piperazin-1-ylphenyl)diazene?
The canonical SMILES for bis(4-piperazin-1-ylphenyl)diazene is c1cc(N2CCNCC2)ccc1/N=N/c1ccc(N2CCNCC2)cc1.
What is the InChIKey of bis(4-piperazin-1-ylphenyl)diazene?
The InChIKey is NQGKORSFLBCANS-WCWDXBQESA-N. The full InChI is InChI=1S/C20H26N6/c1-5-19(25-13-9-21-10-14-25)6-2-17(1)23-24-18-3-7-20(8-4-18)26-15-11-22-12-16-26/h1-8,21-22H,9-16H2/b24-23+.
What are the key properties of bis(4-piperazin-1-ylphenyl)diazene?
bis(4-piperazin-1-ylphenyl)diazene has a molecular weight of 350.47 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-piperazin-1-ylphenyl)diazene is sourced from PubChem (CID 25170712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).