TL;DR: 1-Piperazinecarboxylic acid, 4-propyl-, ethyl ester, hydrochloride (CAS 63981-47-5) is a chemical compound with molecular formula C10H21ClN2O2 and molecular weight 236.12915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-propylpiperazine-1-carboxylate;hydrochloride
Also Known As: 1-Carbethoxy-4-propylpiperazine hydrochloride, 1-Piperazinecarboxylic acid, 4-propyl-, ethyl ester, hydrochloride, ethyl 4-propylpiperazine-1-carboxylate hydrochloride, ethyl 4-propylpiperazine-1-carboxylate hydrochloride(1:1), Ethyl 4-propylpiperazine-1-carboxylate--hydrogen chloride (1/1)
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H21ClN2O2 |
| Molecular Weight | 236.12915 g/mol |
| XLogP | 1.59 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.12915 Da |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
| SMILES | CCCN1CCN(CC1)C(=O)OCC.Cl |
| InChIKey | WVLVCZVVOWSJHJ-UHFFFAOYSA-N |
The XLogP value of 1.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarboxylic acid, 4-propyl-, ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 32.8 Ų, 1-Piperazinecarboxylic acid, 4-propyl-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-propyl-, ethyl ester, hydrochloride has 1 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 1-Piperazinecarboxylic acid, 4-propyl-, ethyl ester, hydrochloride is 63981-47-5.
The molecular formula of 1-Piperazinecarboxylic acid, 4-propyl-, ethyl ester, hydrochloride is C10H21ClN2O2.
The molecular weight of 1-Piperazinecarboxylic acid, 4-propyl-, ethyl ester, hydrochloride is 236.12915 g/mol.
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