4-(4-nitrophenyl)piperidine

C11H14N2O2 — CID 15925817

IUPAC4-(4-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C11H14N2O2/c14-13(15)11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-4,10,12H,5-8H2
InChIKeyCDSJZBOLNDWPAA-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.06
Rot. Bonds2

About 4-(4-nitrophenyl)piperidine

4-(4-nitrophenyl)piperidine (PubChem CID 15925817) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(4-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-(4-nitrophenyl)piperidine
PubChem CID15925817
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-(4-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C11H14N2O2/c14-13(15)11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-4,10,12H,5-8H2
InChIKeyCDSJZBOLNDWPAA-UHFFFAOYSA-N
XLogP2.06
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-nitrophenyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)piperidine?
The IUPAC name of 4-(4-nitrophenyl)piperidine (CID 15925817) is 4-(4-nitrophenyl)piperidine.
What is the SMILES notation for 4-(4-nitrophenyl)piperidine?
The canonical SMILES for 4-(4-nitrophenyl)piperidine is O=[N+]([O-])c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)piperidine?
The InChIKey is CDSJZBOLNDWPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-13(15)11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-4,10,12H,5-8H2.
What are the key properties of 4-(4-nitrophenyl)piperidine?
4-(4-nitrophenyl)piperidine has a molecular weight of 206.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)piperidine is sourced from PubChem (CID 15925817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).