4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-1-(4-methylpiperidin-1-yl)butan-1-one--hydrogen chloride (1/2)
Chemical Structure Depiction of
4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-1-(4-methylpiperidin-1-yl)butan-1-one--hydrogen chloride (1/2)
4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-1-(4-methylpiperidin-1-yl)butan-1-one--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | N113-0223 |
| Compound Name: | 4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-1-(4-methylpiperidin-1-yl)butan-1-one--hydrogen chloride (1/2) |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C24 H37 N3 O |
| Salt: | 2HCl |
| Smiles: | [H][C@@]1(CCCC(N2CCC(C)CC2)=O)[C@H]2C[C@@H](CN1)CN(Cc1ccccc1)C2 |
| Stereo: | ABSOLUTE |
| logP: | 3.064 |
| logD: | 0.9554 |
| logSw: | -3.37 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.19 |
| InChI Key: | QWPQVKVJZYVBOH-RJGXRXQPSA-N |