| Pubchem ID | 135323290 |
|---|---|
| CAS | 8015-65-4 |
| IUPAC name | N-[4-[[4-(2-phenylethyl)-4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]phenyl]acetamide |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(=O)NC1=CC=C(C=C1)CN2CCC(CC2)(CCC3=CC=CC=C3)COC4=CC=CC=N4 |
| InCheykey | InChI=1S/C28H33N3O2/c1-23(32)30-26-12-10-25(11-13-26)21-31-19-16-28(17-20-31,15-14-24-7-3-2-4-8-24)22-33-27-9-5-6-18-29-27/h2-13,18H,14-17,19-22H2,1H3,(H,30,32) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 443.591 | 1 | 4 | 9 | 54.5 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Weaker / Non binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |