1-Methyl-4-(3-methylbenzoyl)piperazine
TL;DR: 1-Methyl-4-(3-methylbenzoyl)piperazine (CAS 346663-90-9) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl)-(4-methylpiperazin-1-yl)methanone
Also Known As: 1-methyl-4-(3-methylbenzoyl)piperazine, 3-methylphenyl 4-methylpiperazinyl ketone, BIM-0047956.P001, Methanone, (3-methylphenyl)(4-methyl-1-piperazinyl)-, (3-methylphenyl)(4-methylpiperazin-1-yl)methanone
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 1.38262 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 381.27393 |
Chemical Identifiers
| CAS Number | 346663-90-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2CCN(CC2)C |
Product Overview
1-Methyl-4-(3-methylbenzoyl)piperazine (CAS 346663-90-9), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: (3-methylphenyl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of 1-Methyl-4-(3-methylbenzoyl)piperazine
Property Insights of 1-Methyl-4-(3-methylbenzoyl)piperazine
The XLogP value of 1.38262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(3-methylbenzoyl)piperazine. With a topological polar surface area (TPSA) of 23.55 Ų, 1-Methyl-4-(3-methylbenzoyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(3-methylbenzoyl)piperazine has 0 hydrogen bond donor(s) and 2 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-Methyl-4-(3-methylbenzoyl)piperazine?
The CAS number of 1-Methyl-4-(3-methylbenzoyl)piperazine is 346663-90-9.
What is the molecular formula of 1-Methyl-4-(3-methylbenzoyl)piperazine?
The molecular formula of 1-Methyl-4-(3-methylbenzoyl)piperazine is C13H18N2O.
What is the molecular weight of 1-Methyl-4-(3-methylbenzoyl)piperazine?
The molecular weight of 1-Methyl-4-(3-methylbenzoyl)piperazine is 218.14 g/mol.
Where can I buy 1-Methyl-4-(3-methylbenzoyl)piperazine?
You can request a quote for 1-Methyl-4-(3-methylbenzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(3-methylbenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(3-methylbenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.