HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 142777053Generated: November 4, 2026
Benzyl 4-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxopropyl]piperazine-1-carboxylate
https://huagongshe.com/en/chemical/142777053
Identifiers & Physical Properties
| CAS No. | 775288-09-0 |
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| Molecular formula | C21H32N4O3 |
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| Average molar mass | 388.5 g/mol |
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| Monoisotopic mass | 388.2474409 g/mol |
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| SMILES | CN1CCCN(C(=O)CCN2CCN(C(=O)OCc3ccccc3)CC2)CC1 |
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| InChIKey | JIAFYRIPVUSCLO-UHFFFAOYSA-N |
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| PubChem CID | 142777053 |
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| DTXSID | DTXSID601116284 |
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Chemical & Physical Properties
| XLogP | 1 |
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| Topological polar surface area | 56.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 502 |
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![Benzyl 4-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxopropyl]piperazine-1-carboxylate molecular structure](/img/chemical/142777053.png)