1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one
TL;DR: 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one (CAS 877928-05-7) 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.
1-(4-methylphenyl)-2-piperazin-1-ylethanone
Also Known As: 1-(4-methylphenyl)-2-(piperazin-1-yl)ethan-1-one, 1-(4-methylphenyl)-2-piperazin-1-ylethanone, 2-Piperazin-1-yl-1-p-tolyl-ethanone, 1-(4-methylphenyl)-2-piperazin-1-yl-ethanone
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 1.08292 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 352.7003 |
Chemical Identifiers
| CAS Number | 877928-05-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CN2CCNCC2 |
Product Overview
1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one (CAS 877928-05-7), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: 1-(4-methylphenyl)-2-piperazin-1-ylethanone.
Chemical Property Profile of 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one
Property Insights of 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one
The XLogP value of 1.08292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one. With a topological polar surface area (TPSA) of 32.34 Ų, 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one has 1 hydrogen bond donor(s) and 3 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-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one?
The CAS number of 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one is 877928-05-7.
What is the molecular formula of 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one?
The molecular formula of 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one is C13H18N2O.
What is the molecular weight of 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one?
The molecular weight of 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one is 218.14 g/mol.
Where can I buy 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one?
You can request a quote for 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.