TL;DR: Piperazine, 1-(3-(1-adamantylamino)propyl)-4-methyl-, hydrochloride (CAS 101975-78-4) is a chemical compound with molecular formula C18H34ClN3 and molecular weight 327.24414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(4-methylpiperazin-1-yl)propyl]adamantan-1-amine;hydrochloride
Also Known As: Piperazine, 1-(3-(1-adamantylamino)propyl)-4-methyl-, hydrochloride, 1-(3-(1-Adamantylamino)propyl)-4-methyl-piperazine hydrochloride, Piperazine, 1-(3-(1-adamantylamino)propyl)-4-methyl-, HCl, N-[3-(4-methylpiperazin-1-yl)propyl]adamantan-1-amine hydrochloride, N-[3-(4-Methylpiperazin-1-yl)propyl]adamantan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C18H34ClN3 |
| Molecular Weight | 327.24414 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.24414 Da |
| Heavy Atoms | 22 |
| Complexity | 318.0 |
| SMILES | CN1CCN(CC1)CCCNC23CC4CC(C2)CC(C4)C3.Cl |
| InChIKey | VTBNTYZEUVIEAB-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(3-(1-adamantylamino)propyl)-4-methyl-, hydrochloride. With a topological polar surface area (TPSA) of 18.5 Ų, Piperazine, 1-(3-(1-adamantylamino)propyl)-4-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(3-(1-adamantylamino)propyl)-4-methyl-, hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-(3-(1-adamantylamino)propyl)-4-methyl-, hydrochloride is 101975-78-4.
The molecular formula of Piperazine, 1-(3-(1-adamantylamino)propyl)-4-methyl-, hydrochloride is C18H34ClN3.
The molecular weight of Piperazine, 1-(3-(1-adamantylamino)propyl)-4-methyl-, hydrochloride is 327.24414 g/mol.
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