TL;DR: Piperazine, 1-(1-adamantyl)-4-tert-butyl-, dihydrochloride (CAS 38789-57-0) is a chemical compound with molecular formula C18H34Cl2N2 and molecular weight 348.2099 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-adamantyl)-4-tert-butylpiperazine;dihydrochloride
Also Known As: Piperazine, 1-(1-adamantyl)-4-tert-butyl-, dihydrochloride, 1-(1-Adamantyl)-4-tert-butylpiperazine dihydrochloride, 1-(Adamantan-1-yl)-4-tert-butylpiperazine--hydrogen chloride (1/2)
| Molecular Formula | C18H34Cl2N2 |
| Molecular Weight | 348.2099 g/mol |
| XLogP | 4.21 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.2099 Da |
| Heavy Atoms | 22 |
| Complexity | 332.0 |
| SMILES | CC(C)(C)N1CCN(CC1)C23CC4CC(C2)CC(C4)C3.Cl.Cl |
| InChIKey | XHIJWGWTXRMDMS-UHFFFAOYSA-N |
The XLogP value of 4.21 indicates that Piperazine, 1-(1-adamantyl)-4-tert-butyl-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, Piperazine, 1-(1-adamantyl)-4-tert-butyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(1-adamantyl)-4-tert-butyl-, dihydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-(1-adamantyl)-4-tert-butyl-, dihydrochloride is 38789-57-0.
The molecular formula of Piperazine, 1-(1-adamantyl)-4-tert-butyl-, dihydrochloride is C18H34Cl2N2.
The molecular weight of Piperazine, 1-(1-adamantyl)-4-tert-butyl-, dihydrochloride is 348.2099 g/mol.
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