4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride
TL;DR: 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride (CAS 27971-91-1) is a chemical compound with molecular formula C15H32ClN3O2 and molecular weight 321.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate;hydrochloride
Also Known As: 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride, 1-Piperazinecarboxylic acid, 4-(2-(diethylamino)ethyl)-, isobutyl ester, hydrochloride, 2-methylpropyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate hydrochloride(1:1), 2-methylpropyl 4-(2-diethylaminoethyl)piperazine-1-carboxylate hydrochloride, 2-methylpropyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate,hydrochloride
| Molecular Formula | C15H32ClN3O2 |
|---|---|
| Molecular Weight | 321.22 g/mol |
| LogP | 2.1602 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 321.2183 |
| Heavy Atoms | 21 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 27971-91-1 |
|---|---|
| SMILES | CCN(CC)CCN1CCN(CC1)C(=O)OCC(C)C.Cl |
| InChIKey | QVWXARKISHNFIH-UHFFFAOYSA-N |
Product Overview
4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride (CAS 27971-91-1), with molecular formula C15H32ClN3O2 and molecular weight 321.22 g/mol. IUPAC: 2-methylpropyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride
Property Insights of 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride
The XLogP value of 2.1602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride. With a topological polar surface area (TPSA) of 36.0 Ų, 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride?
The CAS number of 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride is 27971-91-1.
What is the molecular formula of 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride?
The molecular formula of 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride is C15H32ClN3O2.
What is the molecular weight of 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride?
The molecular weight of 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride is 321.22 g/mol.
Where can I buy 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride?
You can request a quote for 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(Diethylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.