2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine
TL;DR: 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine (CAS 56646-70-9) is a chemical compound with molecular formula C12H21NO and molecular weight 195.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylpiperidin-1-yl)-3-methylbut-2-en-1-one
Also Known As: AI3-36176, 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine, Piperidine, 2,6-dimethyl-1-(3-methyl-1-oxo-2-butenyl)-, 1-(2,6-dimethylpiperidin-1-yl)-3-methylbut-2-en-1-one
| Molecular Formula | C12H21NO |
|---|---|
| Molecular Weight | 195.16 g/mol |
| LogP | 2.7421 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.16231 |
| Heavy Atoms | 14 |
| Complexity | 230.70628 |
Chemical Identifiers
| CAS Number | 56646-70-9 |
|---|---|
| SMILES | CC1CCCC(N1C(=O)C=C(C)C)C |
Product Overview
2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine (CAS 56646-70-9), with molecular formula C12H21NO and molecular weight 195.16 g/mol. IUPAC: 1-(2,6-dimethylpiperidin-1-yl)-3-methylbut-2-en-1-one.
Chemical Property Profile of 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine
Property Insights of 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine
The XLogP value of 2.7421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine. With a topological polar surface area (TPSA) of 20.31 Ų, 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine has 0 hydrogen bond donor(s) and 1 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 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine?
The CAS number of 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine is 56646-70-9.
What is the molecular formula of 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine?
The molecular formula of 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine is C12H21NO.
What is the molecular weight of 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine?
The molecular weight of 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine is 195.16 g/mol.
Where can I buy 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine?
You can request a quote for 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-1-(3-methyl-1-oxo-2-butenyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.