Nepinalone hydrochlorideProduct ingredient for Nepinalone
- Name
- Nepinalone hydrochloride
- Drug Entry
- Nepinalone
- Accession Number
- DBSALT003119
- Structure
Structure for Nepinalone hydrochloride (DBSALT003119)
- Synonyms
- Not Available
- UNII
- 68J256455O
- CAS Number
- 22443-55-6
- Weight
- Average: 307.86
Monoisotopic: 307.1702922 - Chemical Formula
- C18H26ClNO
- InChI Key
- DWXUSWVHSCQVTM-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H25NO.ClH/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20;/h3-4,7-8H,2,5-6,9-14H2,1H3;1H
- IUPAC Name
- 1-methyl-1-[2-(piperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-one hydrochloride
- SMILES
- Cl.CC1(CCN2CCCCC2)C(=O)CCC2=C1C=CC=C2
- External Links
- ChemSpider
- 15716180
- Predicted Properties
Property Value Source Water Solubility 0.0429 mg/mL ALOGPS logP 4.17 ALOGPS logP 3.91 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 19.95 Chemaxon pKa (Strongest Basic) 8.98 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 20.31 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 83.66 m3·mol-1 Chemaxon Polarizability 31.97 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon