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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL20969
CHEMBL20969
Compound Name
ChEMBL Synonyms 4-Phenyl-Piperidine | 4-Phenylpiperidinium Chloride
Max Phase 0
Trade Names
Molecular Formula C11H15N

Additional synonyms for CHEMBL20969 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CC(CCN1)c2ccccc2
Standard InChI InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12 ...
Download InChI
Standard InChI Key UTBULQCHEUWJNV-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL20969

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
161.3 161.1204 2.15 1 12.03 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.2 2.25 -.37 1 12 0.67

Structural Alerts

There are no structural alerts for CHEMBL20969

Compound Cross References

ChemSpider ChemSpider:UTBULQCHEUWJNV-UHFFFAOYSA-N
Wikipedia 4-Phenylpiperidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL20969



ACToR 771-99-3
BindingDB 50007408
Brenda 21793
eMolecules 526055
EPA CompTox Dashboard DTXSID40227890
FDA SRS 8V8IM567WT
IBM Patent System 2E317CC6238874D084715B43D6E88FA8
Mcule MCULE-6590774354
MolPort MolPort-000-140-031
Nikkaji J99J
NMRShiftDB 20208644
PubChem 69873
PubChem: Thomson Pharma 15114513
SureChEMBL SCHEMBL4574
ZINC ZINC000001575604

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UTBULQCHEUWJNV-UHFFFAOYSA-N spacer
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