Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate
TL;DR: Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate (CAS 1240585-10-7) is a chemical compound with molecular formula C14H21N3O2 and molecular weight 263.1634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 3-pyridin-3-ylpiperazine-1-carboxylate
Also Known As: 3-pyridin-3-yl-piperazine-1-carboxylic acid tert-butyl ester, tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate, N-Boc-3-pyridin-3-ylpiperazine, N-Boc-3-pyridin-3-yl-piperazine, Tert-butyl 3-pyridin-3-ylpiperazine-1-carboxylate
Technical Specifications
| Molecular Formula | C14H21N3O2 |
| Molecular Weight | 263.1634 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.1634 Da |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
| SMILES | CC(C)(C)OC(=O)N1CCNC(C1)C2=CN=CC=C2 |
| InChIKey | YTZNVXDPMKDFHB-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate
Property Insights of Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 54.5 Ų, Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate 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
What is the CAS number of Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate?
The CAS number of Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate is 1240585-10-7.
What is the molecular formula of Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate?
The molecular formula of Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate is C14H21N3O2.
What is the molecular weight of Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate?
The molecular weight of Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate is 263.1634 g/mol.
Where can I buy Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate?
You can request a quote for Tert-butyl 3-(pyridin-3-yl)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-(pyridin-3-yl)piperazine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.