![4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one structure](/static/products/1212/1212428-88-0.webp)
4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
TL;DR: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CAS 1212428-88-0) is a chemical compound with molecular formula C23H30N2O4 and molecular weight 398.22055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Also Known As: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, (1R,4S)-4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, 4-{[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]carbonyl}-1,7,7-trim ethylbicyclo[2.2.1]heptan-2-one
Technical Specifications
| Molecular Formula | C23H30N2O4 |
| Molecular Weight | 398.22055 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.22055 Da |
| Heavy Atoms | 29 |
| Complexity | 701.0 |
| SMILES | CC1(C2(CCC1(CC2=O)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)C |
| InChIKey | CIWHWNOFXQKTNT-UHFFFAOYSA-N |
Chemical Property Profile of 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Property Insights of 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one. With a topological polar surface area (TPSA) of 59.1 Ų, 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The CAS number of 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is 1212428-88-0.
What is the molecular formula of 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The molecular formula of 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is C23H30N2O4.
What is the molecular weight of 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The molecular weight of 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is 398.22055 g/mol.
Where can I buy 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
You can request a quote for 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
Yes, CoreyChem provides custom synthesis services for 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.