4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one
TL;DR: 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one (CAS 21922-69-0) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one
Also Known As: 2-Cyclobuten-1-one, 4,4-dimethyl-3-piperidino-, 4,4-Dimethyl-3-piperidino-2-cyclobuten-1-one, 4,4-dimethyl-3-piperidinocyclobut-2-en-1-one, 4,4-dimethyl-3-(piperidin-1-yl)cyclobut-2-enone, 4,4-dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 21922-69-0 |
|---|---|
| SMILES | CC1(C(=CC1=O)N2CCCCC2)C |
| InChIKey | WOAJHBGJZWLAON-UHFFFAOYSA-N |
Product Overview
4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one (CAS 21922-69-0), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: 4,4-dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one.
Chemical Property Profile of 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one
Property Insights of 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one 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 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one?
The CAS number of 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one is 21922-69-0.
What is the molecular formula of 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one?
The molecular formula of 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one is C11H17NO.
What is the molecular weight of 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one?
The molecular weight of 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one is 179.13 g/mol.
Where can I buy 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one?
You can request a quote for 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.