4-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-(3-methylbutyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-(3-methylbutyl)isoquinolin-1(2H)-one
4-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-(3-methylbutyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | IB06-2482 |
| Compound Name: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-(3-methylbutyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C26 H29 Cl N2 O3 |
| Smiles: | CC(C)CCN1C=C(C(N2CCC(CC2)(c2ccc(cc2)[Cl])O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.89 |
| logD: | 3.89 |
| logSw: | -4.51 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.64 |
| InChI Key: | PJTZJEZSYSMNBY-UHFFFAOYSA-N |