3-Dimethylaminomethylene-1-methyl-piperidin-4-one
TL;DR: 3-Dimethylaminomethylene-1-methyl-piperidin-4-one (CAS 290333-01-6) is a chemical compound with molecular formula C9H16N2O and molecular weight 168.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(dimethylaminomethylidene)-1-methylpiperidin-4-one
Also Known As: 3-Dimethylaminomethylene-1-methyl-piperidin-4-one, (3E)-3-(dimethylaminomethylidene)-1-methylpiperidin-4-one, (3E)-3-[(Dimethylamino)methylidene]-1-methylpiperidin-4-one, 3-((DIMETHYLAMINO)METHYLENE)-1-METHYLPIPERIDIN-4-ONE, 3-(dimethylaminomethylidene)-1-methyl-piperidin-4-one
| Molecular Formula | C9H16N2O |
|---|---|
| Molecular Weight | 168.13 g/mol |
| LogP | 0.3365 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.12627 |
| Heavy Atoms | 12 |
| Complexity | 208.57408 |
Chemical Identifiers
| CAS Number | 290333-01-6 |
|---|---|
| SMILES | CN1CCC(=O)/C(=C/N(C)C)/C1 |
Product Overview
3-Dimethylaminomethylene-1-methyl-piperidin-4-one (CAS 290333-01-6), with molecular formula C9H16N2O and molecular weight 168.13 g/mol. IUPAC: (3E)-3-(dimethylaminomethylidene)-1-methylpiperidin-4-one.
Chemical Property Profile of 3-Dimethylaminomethylene-1-methyl-piperidin-4-one
Property Insights of 3-Dimethylaminomethylene-1-methyl-piperidin-4-one
The XLogP value of 0.3365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dimethylaminomethylene-1-methyl-piperidin-4-one. With a topological polar surface area (TPSA) of 23.55 Ų, 3-Dimethylaminomethylene-1-methyl-piperidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Dimethylaminomethylene-1-methyl-piperidin-4-one 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 3-Dimethylaminomethylene-1-methyl-piperidin-4-one?
The CAS number of 3-Dimethylaminomethylene-1-methyl-piperidin-4-one is 290333-01-6.
What is the molecular formula of 3-Dimethylaminomethylene-1-methyl-piperidin-4-one?
The molecular formula of 3-Dimethylaminomethylene-1-methyl-piperidin-4-one is C9H16N2O.
What is the molecular weight of 3-Dimethylaminomethylene-1-methyl-piperidin-4-one?
The molecular weight of 3-Dimethylaminomethylene-1-methyl-piperidin-4-one is 168.13 g/mol.
Where can I buy 3-Dimethylaminomethylene-1-methyl-piperidin-4-one?
You can request a quote for 3-Dimethylaminomethylene-1-methyl-piperidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dimethylaminomethylene-1-methyl-piperidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Dimethylaminomethylene-1-methyl-piperidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.