1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride
TL;DR: 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride (CAS 63981-44-2) 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-propan-2-ylpiperazine-1-carboxylate;hydrochloride
Also Known As: 1-Carbethoxy-4-isopropylpiperazine hydrochloride, ethyl 4-isopropylpiperazine-1-carboxylate hydrochloride(1:1), 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride, ethyl 4-propan-2-ylpiperazine-1-carboxylate hydrochloride, Ethyl 4-(propan-2-yl)piperazine-1-carboxylate--hydrogen chloride (1/1)
Technical Specifications
| 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 | 3 |
| Exact Mass | 236.12915 Da |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
| SMILES | CCOC(=O)N1CCN(CC1)C(C)C.Cl |
| InChIKey | QBKCGCOHIUEGDX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride
Property Insights of 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride
The XLogP value of 1.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 32.8 Ų, 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-isopropyl-, 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.
Frequently Asked Questions
What is the CAS number of 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride?
The CAS number of 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride is 63981-44-2.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride?
The molecular formula of 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride is C10H21ClN2O2.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride?
The molecular weight of 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride is 236.12915 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride?
You can request a quote for 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.