potassium 4-(piperidin-1-yldiazenyl)benzoate

C12H14KN3O2 — CID 23669602

IUPACpotassium 4-(piperidin-1-yldiazenyl)benzoate
SMILESO=C([O-])c1ccc(/N=N/N2CCCCC2)cc1.[K+]
InChIInChI=1S/C12H15N3O2.K/c16-12(17)10-4-6-11(7-5-10)13-14-15-8-2-1-3-9-15;/h4-7H,1-3,8-9H2,(H,16,17);/q;+1/p-1/b14-13+;
InChIKeyTZOAFUIBTFUYBQ-IERUDJENSA-M
MW271.36 g/mol
LogP-1.46
Rot. Bonds3

About potassium 4-(piperidin-1-yldiazenyl)benzoate

potassium 4-(piperidin-1-yldiazenyl)benzoate (PubChem CID 23669602) has the molecular formula C12H14KN3O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is potassium 4-(piperidin-1-yldiazenyl)benzoate.

Molecular Properties

Compound Namepotassium 4-(piperidin-1-yldiazenyl)benzoate
PubChem CID23669602
Molecular FormulaC12H14KN3O2
Molecular Weight271.36 g/mol
Exact Mass271.07
IUPAC Namepotassium 4-(piperidin-1-yldiazenyl)benzoate
SMILESO=C([O-])c1ccc(/N=N/N2CCCCC2)cc1.[K+]
InChIInChI=1S/C12H15N3O2.K/c16-12(17)10-4-6-11(7-5-10)13-14-15-8-2-1-3-9-15;/h4-7H,1-3,8-9H2,(H,16,17);/q;+1/p-1/b14-13+;
InChIKeyTZOAFUIBTFUYBQ-IERUDJENSA-M
XLogP-1.46
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(piperidin-1-yldiazenyl)benzoic acid
CID 799929
ethyl 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 139203232
azepan-1-yl(phenyl)diazene
CID 15497245
(2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 10805345
N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide
CID 21143703
dipotassium;terephthalate
CID 25981
dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate
CID 6514282
2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide
CID 17388729
potassium [4-(azepan-1-yldiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 23665360
potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid
CID 126467905
4-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoic acid
CID 129101829
(2S)-3-phenyl-2-[[4-(piperidin-1-yldiazenyl)phenyl]sulfonylamino]propanoic acid
CID 42531153

Frequently Asked Questions

What is the IUPAC name of potassium 4-(piperidin-1-yldiazenyl)benzoate?
The IUPAC name of potassium 4-(piperidin-1-yldiazenyl)benzoate (CID 23669602) is potassium 4-(piperidin-1-yldiazenyl)benzoate.
What is the SMILES notation for potassium 4-(piperidin-1-yldiazenyl)benzoate?
The canonical SMILES for potassium 4-(piperidin-1-yldiazenyl)benzoate is O=C([O-])c1ccc(/N=N/N2CCCCC2)cc1.[K+].
What is the InChIKey of potassium 4-(piperidin-1-yldiazenyl)benzoate?
The InChIKey is TZOAFUIBTFUYBQ-IERUDJENSA-M. The full InChI is InChI=1S/C12H15N3O2.K/c16-12(17)10-4-6-11(7-5-10)13-14-15-8-2-1-3-9-15;/h4-7H,1-3,8-9H2,(H,16,17);/q;+1/p-1/b14-13+;.
What are the key properties of potassium 4-(piperidin-1-yldiazenyl)benzoate?
potassium 4-(piperidin-1-yldiazenyl)benzoate has a molecular weight of 271.36 g/mol, XLogP of -1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(piperidin-1-yldiazenyl)benzoate is sourced from PubChem (CID 23669602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).