4-(piperidin-1-yldiazenyl)benzoic acid

C12H15N3O2 — CID 799929

IUPAC4-(piperidin-1-yldiazenyl)benzoic acid
SMILESO=C(O)c1ccc(/N=N/N2CCCCC2)cc1
InChIInChI=1S/C12H15N3O2/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)/b14-13+
InChIKeyCFUGLPMQZIPTCI-BUHFOSPRSA-N
MW233.27 g/mol
LogP2.87
Rot. Bonds3

About 4-(piperidin-1-yldiazenyl)benzoic acid

4-(piperidin-1-yldiazenyl)benzoic acid (PubChem CID 799929) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(piperidin-1-yldiazenyl)benzoic acid.

Molecular Properties

Compound Name4-(piperidin-1-yldiazenyl)benzoic acid
PubChem CID799929
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(piperidin-1-yldiazenyl)benzoic acid
SMILESO=C(O)c1ccc(/N=N/N2CCCCC2)cc1
InChIInChI=1S/C12H15N3O2/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)/b14-13+
InChIKeyCFUGLPMQZIPTCI-BUHFOSPRSA-N
XLogP2.87
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

azepan-1-yl(phenyl)diazene
CID 15497245
4-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoic acid
CID 129101829
ethyl 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 139203232
(2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 10805345
N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide
CID 21143703
4-phenyldiazenylbenzoic acid
CID 15276
(E)-3-[3-(piperidin-1-yldiazenyl)phenyl]prop-2-enoic acid
CID 799964
4-(trifluoromethyldiazenyl)benzoic acid
CID 21236546
terephthalic acid
CID 160582437
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
azane;azepane;terephthalic acid
CID 129314058

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-yldiazenyl)benzoic acid?
The IUPAC name of 4-(piperidin-1-yldiazenyl)benzoic acid (CID 799929) is 4-(piperidin-1-yldiazenyl)benzoic acid.
What is the SMILES notation for 4-(piperidin-1-yldiazenyl)benzoic acid?
The canonical SMILES for 4-(piperidin-1-yldiazenyl)benzoic acid is O=C(O)c1ccc(/N=N/N2CCCCC2)cc1.
What is the InChIKey of 4-(piperidin-1-yldiazenyl)benzoic acid?
The InChIKey is CFUGLPMQZIPTCI-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H15N3O2/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)/b14-13+.
What are the key properties of 4-(piperidin-1-yldiazenyl)benzoic acid?
4-(piperidin-1-yldiazenyl)benzoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-yldiazenyl)benzoic acid is sourced from PubChem (CID 799929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).