Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate
TL;DR: Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate (CAS 1228556-99-7) is a chemical compound with molecular formula C15H21ClN2O2 and molecular weight 296.12915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate
Also Known As: Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate, 3-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester, 1-Boc-3-(4-chlorophenyl)piperazine, 1-N-Boc-3-(4-chlorophenyl)piperazine, 3BPY-Q02-01
Technical Specifications
| Molecular Formula | C15H21ClN2O2 |
| Molecular Weight | 296.12915 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.12915 Da |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
| SMILES | CC(C)(C)OC(=O)N1CCNC(C1)C2=CC=C(C=C2)Cl |
| InChIKey | WWWIVVADARKSAS-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate
Property Insights of Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 41.6 Ų, Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate 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 Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate?
The CAS number of Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate is 1228556-99-7.
What is the molecular formula of Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate?
The molecular formula of Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate is C15H21ClN2O2.
What is the molecular weight of Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate?
The molecular weight of Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate is 296.12915 g/mol.
Where can I buy Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate?
You can request a quote for Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.