1-(Thiophen-3-ylmethyl)piperazine
TL;DR: 1-(Thiophen-3-ylmethyl)piperazine (CAS 111781-52-3) is a chemical compound with molecular formula C9H14N2S and molecular weight 182.08777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(thiophen-3-ylmethyl)piperazine
Also Known As: 1-(3-Thienylmethyl)piperazine, 1-(thiophen-3-ylmethyl)piperazine, 1-(thien-3-ylmethyl)piperazine, 1-[(thiophen-3-yl)methyl]piperazine, 1-(3-Thienylmethyl)-piperazine
Technical Specifications
| Molecular Formula | C9H14N2S |
| Molecular Weight | 182.08777 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 43.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.08777 Da |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
| SMILES | C1CN(CCN1)CC2=CSC=C2 |
| InChIKey | DCEFDTKYYGMWMX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Thiophen-3-ylmethyl)piperazine
Property Insights of 1-(Thiophen-3-ylmethyl)piperazine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Thiophen-3-ylmethyl)piperazine. With a topological polar surface area (TPSA) of 43.5 Ų, 1-(Thiophen-3-ylmethyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Thiophen-3-ylmethyl)piperazine 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-(Thiophen-3-ylmethyl)piperazine?
The CAS number of 1-(Thiophen-3-ylmethyl)piperazine is 111781-52-3.
What is the molecular formula of 1-(Thiophen-3-ylmethyl)piperazine?
The molecular formula of 1-(Thiophen-3-ylmethyl)piperazine is C9H14N2S.
What is the molecular weight of 1-(Thiophen-3-ylmethyl)piperazine?
The molecular weight of 1-(Thiophen-3-ylmethyl)piperazine is 182.08777 g/mol.
Where can I buy 1-(Thiophen-3-ylmethyl)piperazine?
You can request a quote for 1-(Thiophen-3-ylmethyl)piperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Thiophen-3-ylmethyl)piperazine?
Yes, CoreyChem provides custom synthesis services for 1-(Thiophen-3-ylmethyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.