Pipethanate hydrochlorideProduct ingredient for Pipethanate
- Name
- Pipethanate hydrochloride
- Drug Entry
- Pipethanate
- Accession Number
- DBSALT003044
- Structure
Structure for Pipethanate hydrochloride (DBSALT003044)
- Synonyms
- Piperilate HCl / Piperilate hydrochloride / Pipethanate HCl / Pipethanate hydrochloride
- UNII
- 07OS4SZ89Z
- CAS Number
- 4544-15-4
- Weight
- Average: 375.89
Monoisotopic: 375.1601214 - Chemical Formula
- C21H26ClNO3
- InChI Key
- ZJVKLBBPLUXEAC-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H25NO3.ClH/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-13,24H,3,8-9,14-17H2;1H
- IUPAC Name
- 1-{2-[(2-hydroxy-2,2-diphenylacetyl)oxy]ethyl}piperidin-1-ium chloride
- SMILES
- [Cl-].OC(C(=O)OCC[NH+]1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
- External Links
- ChemSpider
- 19470
- ChEBI
- 32008
- ChEMBL
- CHEMBL3187518
- Predicted Properties
Property Value Source Water Solubility 0.000326 mg/mL ALOGPS logP 0.13 ALOGPS logP 3.57 Chemaxon logS -6.1 ALOGPS pKa (Strongest Acidic) 11.05 Chemaxon pKa (Strongest Basic) 8.06 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 50.97 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 109.43 m3·mol-1 Chemaxon Polarizability 38.12 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon