(4-nitrophenyl)-piperidin-1-yldiazene

C11H14N4O2 — CID 4999212

IUPAC(4-nitrophenyl)-piperidin-1-yldiazene
SMILESO=[N+]([O-])c1ccc(/N=N/N2CCCCC2)cc1
InChIInChI=1S/C11H14N4O2/c16-15(17)11-6-4-10(5-7-11)12-13-14-8-2-1-3-9-14/h4-7H,1-3,8-9H2/b13-12+
InChIKeyFOUPDOGVZUKRGP-OUKQBFOZSA-N
MW234.26 g/mol
LogP3.08
Rot. Bonds3

About (4-nitrophenyl)-piperidin-1-yldiazene

(4-nitrophenyl)-piperidin-1-yldiazene (PubChem CID 4999212) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is (4-nitrophenyl)-piperidin-1-yldiazene.

Molecular Properties

Compound Name(4-nitrophenyl)-piperidin-1-yldiazene
PubChem CID4999212
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name(4-nitrophenyl)-piperidin-1-yldiazene
SMILESO=[N+]([O-])c1ccc(/N=N/N2CCCCC2)cc1
InChIInChI=1S/C11H14N4O2/c16-15(17)11-6-4-10(5-7-11)12-13-14-8-2-1-3-9-14/h4-7H,1-3,8-9H2/b13-12+
InChIKeyFOUPDOGVZUKRGP-OUKQBFOZSA-N
XLogP3.08
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.08
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-piperidin-1-yldiazene?
The IUPAC name of (4-nitrophenyl)-piperidin-1-yldiazene (CID 4999212) is (4-nitrophenyl)-piperidin-1-yldiazene.
What is the SMILES notation for (4-nitrophenyl)-piperidin-1-yldiazene?
The canonical SMILES for (4-nitrophenyl)-piperidin-1-yldiazene is O=[N+]([O-])c1ccc(/N=N/N2CCCCC2)cc1.
What is the InChIKey of (4-nitrophenyl)-piperidin-1-yldiazene?
The InChIKey is FOUPDOGVZUKRGP-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-15(17)11-6-4-10(5-7-11)12-13-14-8-2-1-3-9-14/h4-7H,1-3,8-9H2/b13-12+.
What are the key properties of (4-nitrophenyl)-piperidin-1-yldiazene?
(4-nitrophenyl)-piperidin-1-yldiazene has a molecular weight of 234.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-piperidin-1-yldiazene is sourced from PubChem (CID 4999212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).