(3-Methylphenyl)(piperazin-1-yl)methanone
TL;DR: (3-Methylphenyl)(piperazin-1-yl)methanone (CAS 100939-93-3) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methylphenyl)-piperazin-1-ylmethanone
Also Known As: 1-(3-Methyl-benzoyl)-piperazine, 1-(3-methylbenzoyl)piperazine, Piperazin-1-yl(m-tolyl)methanone, Methanone, (3-methylphenyl)-1-piperazinyl-, (3-Methylphenyl)(1-piperazinyl)methanone
Technical Specifications
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.12627 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.12627 Da |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)N2CCNCC2 |
| InChIKey | YHGUVIUZDTUVKZ-UHFFFAOYSA-N |
Chemical Property Profile of (3-Methylphenyl)(piperazin-1-yl)methanone
Property Insights of (3-Methylphenyl)(piperazin-1-yl)methanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methylphenyl)(piperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 32.3 Ų, (3-Methylphenyl)(piperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methylphenyl)(piperazin-1-yl)methanone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3-Methylphenyl)(piperazin-1-yl)methanone?
The CAS number of (3-Methylphenyl)(piperazin-1-yl)methanone is 100939-93-3.
What is the molecular formula of (3-Methylphenyl)(piperazin-1-yl)methanone?
The molecular formula of (3-Methylphenyl)(piperazin-1-yl)methanone is C12H16N2O.
What is the molecular weight of (3-Methylphenyl)(piperazin-1-yl)methanone?
The molecular weight of (3-Methylphenyl)(piperazin-1-yl)methanone is 204.12627 g/mol.
Where can I buy (3-Methylphenyl)(piperazin-1-yl)methanone?
You can request a quote for (3-Methylphenyl)(piperazin-1-yl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Methylphenyl)(piperazin-1-yl)methanone?
Yes, CoreyChem provides custom synthesis services for (3-Methylphenyl)(piperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.