1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine
TL;DR: 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine (CAS 163130-28-7) is a chemical compound with molecular formula C16H22N2O3 and molecular weight 290.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butan-1-one
Also Known As: Nitronaproxen, 1-MDB-4-OBP, 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-butyrylpiperazine, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butan-1-one
Technical Specifications
| Molecular Formula | C16H22N2O3 |
| Molecular Weight | 290.16306 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.16306 Da |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
| SMILES | CCCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | CXCUNUZXCLEFLK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine
Property Insights of 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine. With a topological polar surface area (TPSA) of 42.0 Ų, 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine has 0 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 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine?
The CAS number of 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine is 163130-28-7.
What is the molecular formula of 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine?
The molecular formula of 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine is C16H22N2O3.
What is the molecular weight of 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine?
The molecular weight of 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine is 290.16306 g/mol.
Where can I buy 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine?
You can request a quote for 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.