1-(1,4-Benzodioxan-2-ylmethyl)piperazine
TL;DR: 1-(1,4-Benzodioxan-2-ylmethyl)piperazine (CAS 7031-63-2) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine
Also Known As: 1-(1,4-benzodioxan-2-ylmethyl)piperazine, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperazine, 1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)piperazine, 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine, piperazine,1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 33.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 7031-63-2 |
|---|---|
| SMILES | C1CN(CCN1)CC2COC3=CC=CC=C3O2 |
| InChIKey | SBJSQEJGEUKPSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,4-Benzodioxan-2-ylmethyl)piperazine (CAS 7031-63-2), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine.
Chemical Property Profile of 1-(1,4-Benzodioxan-2-ylmethyl)piperazine
Property Insights of 1-(1,4-Benzodioxan-2-ylmethyl)piperazine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,4-Benzodioxan-2-ylmethyl)piperazine. With a topological polar surface area (TPSA) of 33.7 Ų, 1-(1,4-Benzodioxan-2-ylmethyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,4-Benzodioxan-2-ylmethyl)piperazine 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 1-(1,4-Benzodioxan-2-ylmethyl)piperazine?
The CAS number of 1-(1,4-Benzodioxan-2-ylmethyl)piperazine is 7031-63-2.
What is the molecular formula of 1-(1,4-Benzodioxan-2-ylmethyl)piperazine?
The molecular formula of 1-(1,4-Benzodioxan-2-ylmethyl)piperazine is C13H18N2O2.
What is the molecular weight of 1-(1,4-Benzodioxan-2-ylmethyl)piperazine?
The molecular weight of 1-(1,4-Benzodioxan-2-ylmethyl)piperazine is 234.14 g/mol.
Where can I buy 1-(1,4-Benzodioxan-2-ylmethyl)piperazine?
You can request a quote for 1-(1,4-Benzodioxan-2-ylmethyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,4-Benzodioxan-2-ylmethyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,4-Benzodioxan-2-ylmethyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.