[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl](isoquinolin-1-yl)methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl](isoquinolin-1-yl)methanone
[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl](isoquinolin-1-yl)methanone
Compound characteristics
| Compound ID: | S617-0344 |
| Compound Name: | [rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl](isoquinolin-1-yl)methanone |
| Molecular Weight: | 313.4 |
| Molecular Formula: | C18 H23 N3 O2 |
| Smiles: | CN(C)[C@@H]1CN(CC[C@@H]1CO)C(c1c2ccccc2ccn1)=O |
| Stereo: | RELATIVE |
| logP: | 1.0316 |
| logD: | -0.2584 |
| logSw: | -1.987 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.393 |
| InChI Key: | YRLWWOWJVADIME-ZBFHGGJFSA-N |