ethyl 1-[3-(adamantan-1-yl)-3-oxoprop-1-en-1-yl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(adamantan-1-yl)-3-oxoprop-1-en-1-yl]piperidine-4-carboxylate
ethyl 1-[3-(adamantan-1-yl)-3-oxoprop-1-en-1-yl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | Y502-1797 |
| Compound Name: | ethyl 1-[3-(adamantan-1-yl)-3-oxoprop-1-en-1-yl]piperidine-4-carboxylate |
| Molecular Weight: | 345.48 |
| Molecular Formula: | C21 H31 N O3 |
| Smiles: | CCOC(C1CCN(CC1)/C=C/C(C12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8978 |
| logD: | 3.8553 |
| logSw: | -3.8345 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.616 |
| InChI Key: | YPWSPPDBAOFPKE-UHFFFAOYSA-N |