4-(Benzhydryloxy)-1-[3-(1H-tetraazol-5-YL)propyl]piperidine

Base Information

• Chemical Name: 4-(Benzhydryloxy)-1-[3-(1H-tetraazol-5-YL)propyl]piperidine
• CAS No.: 162641-16-9
• Molecular Formula: C22H27 N5 O
• Molecular Weight: 377.48
• DSSTox Substance ID: DTXSID50424898
• Nikkaji Number: J813.428F
• Wikidata: Q27077992
• Metabolomics Workbench ID: 151070
• ChEMBL ID: CHEMBL574003
• Mol file: 162641-16-9.mol

Synonyms:4-benzhydryloxy-1-(3-(1H-tetrazol-5-yl-)-propyl)piperidine;HQL-79

Chemical Property of 4-(Benzhydryloxy)-1-[3-(1H-tetraazol-5-YL)propyl]piperidine

Chemical Property:

• Vapor Pressure: 2.68E-12mmHg at 25°C
• Boiling Point: 553.6°C at 760 mmHg
• PKA: 4.85±0.10(Predicted)
• Flash Point: 288.6°C
• PSA: 66.93000
• Density: 1.21
• LogP: 3.34080
• Storage Temp.: Store at RT
• Solubility.: DMSO: soluble2mg/mL, clear (warmed)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 377.22156050
• Heavy Atom Count: 28
• Complexity: 413

Purity/Quality:

98% min ^*data from raw suppliers

HQL 79 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCC4=NNN=N4
• Uses: HQL-79 is a selective PGE synthase inhibitor.