4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-1-{4-[(4-methylphenyl)methyl]piperazin-1-yl}butan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-1-{4-[(4-methylphenyl)methyl]piperazin-1-yl}butan-1-one--hydrogen chloride (1/1)
4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-1-{4-[(4-methylphenyl)methyl]piperazin-1-yl}butan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | N113-0144 |
| Compound Name: | 4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-1-{4-[(4-methylphenyl)methyl]piperazin-1-yl}butan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 511.15 |
| Molecular Formula: | C30 H42 N4 O |
| Salt: | HCl |
| Smiles: | [H][C@@]1(CCCC(N2CCN(CC2)Cc2ccc(C)cc2)=O)[C@H]2C[C@@H](CN1)CN(Cc1ccccc1)C2 |
| Stereo: | ABSOLUTE |
| logP: | 3.4735 |
| logD: | 1.3647 |
| logSw: | -3.5497 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.727 |
| InChI Key: | ALTZCHIODXOARC-YTCPBCGMSA-N |