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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL144129
CHEMBL144129
Compound Name
ChEMBL Synonyms 4-Benzyl-Piperidine
Max Phase 0
Trade Names
Molecular Formula C12H17N

Additional synonyms for CHEMBL144129 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(C1CCNCC1)c2ccccc2
Standard InChI InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12 ...
Download InChI
Standard InChI Key ABGXADJDTPFFSZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL144129

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
175.3 175.1361 2.44 2 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
- 10.58 2.55 -.28 1 13 0.73

Structural Alerts

There are no structural alerts for CHEMBL144129

Compound Cross References

ChemSpider ChemSpider:ABGXADJDTPFFSZ-UHFFFAOYSA-N
Wikipedia 4-Benzylpiperidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL144129



ACToR 31252-42-3
BindingDB 50004317
eMolecules 481058
EPA CompTox Dashboard DTXSID3067603
FDA SRS JDF1T4667S
IBM Patent System E673ADF42E328863ABE1082A79A1AF20
Mcule MCULE-9399214134
MolPort MolPort-000-871-506
Nikkaji J29.203F
NMRShiftDB 30096617
PubChem 31738
PubChem: Thomson Pharma 16202455
SureChEMBL SCHEMBL87612
ZINC ZINC000001656366

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