2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-
TL;DR: 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)- (CAS 81820-75-9) is a chemical compound with molecular formula C13H22N2O and molecular weight 222.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one
Also Known As: 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one, 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-, 5,5-DIMETHYL-3-(4-METHYLPIPERAZINYL)CYCLOHEX-2-EN-1-ONE, 2-Cyclohexen-1-one,5,5-dimethyl-3-(4-methyl-1-piperazinyl), RefChem:259824
| Molecular Formula | C13H22N2O |
|---|---|
| Molecular Weight | 222.17 g/mol |
| LogP | 1.5068 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.17322 |
| Heavy Atoms | 16 |
| Complexity | 311.8943 |
Chemical Identifiers
| CAS Number | 81820-75-9 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)N2CCN(CC2)C)C |
Product Overview
2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)- (CAS 81820-75-9), with molecular formula C13H22N2O and molecular weight 222.17 g/mol. IUPAC: 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-
Property Insights of 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-
The XLogP value of 1.5068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-. With a topological polar surface area (TPSA) of 23.55 Ų, 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)- has 0 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 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-?
The CAS number of 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)- is 81820-75-9.
What is the molecular formula of 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-?
The molecular formula of 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)- is C13H22N2O.
What is the molecular weight of 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-?
The molecular weight of 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)- is 222.17 g/mol.
Where can I buy 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-?
You can request a quote for 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.