1-Cyclohexyl-3-methylpiperidin-4-one
TL;DR: 1-Cyclohexyl-3-methylpiperidin-4-one (CAS 100452-85-5) is a chemical compound with molecular formula C12H21NO and molecular weight 195.16231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclohexyl-3-methylpiperidin-4-one
Also Known As: 1-cyclohexyl-3-methylpiperidin-4-one, ZERO/001609, 1-cyclohexyl-3-methyl-4-piperidone, 1-cyclohexyl-3-methyl-piperidin-4-one, 1-Cyclohexyl-3-methyl-4-piperidinone #
Technical Specifications
| Molecular Formula | C12H21NO |
| Molecular Weight | 195.16231 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.16231 Da |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
| SMILES | CC1CN(CCC1=O)C2CCCCC2 |
| InChIKey | SHFOBFYCUAWAOO-UHFFFAOYSA-N |
Chemical Property Profile of 1-Cyclohexyl-3-methylpiperidin-4-one
Property Insights of 1-Cyclohexyl-3-methylpiperidin-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclohexyl-3-methylpiperidin-4-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Cyclohexyl-3-methylpiperidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexyl-3-methylpiperidin-4-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
What is the CAS number of 1-Cyclohexyl-3-methylpiperidin-4-one?
The CAS number of 1-Cyclohexyl-3-methylpiperidin-4-one is 100452-85-5.
What is the molecular formula of 1-Cyclohexyl-3-methylpiperidin-4-one?
The molecular formula of 1-Cyclohexyl-3-methylpiperidin-4-one is C12H21NO.
What is the molecular weight of 1-Cyclohexyl-3-methylpiperidin-4-one?
The molecular weight of 1-Cyclohexyl-3-methylpiperidin-4-one is 195.16231 g/mol.
Where can I buy 1-Cyclohexyl-3-methylpiperidin-4-one?
You can request a quote for 1-Cyclohexyl-3-methylpiperidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Cyclohexyl-3-methylpiperidin-4-one?
Yes, CoreyChem provides custom synthesis services for 1-Cyclohexyl-3-methylpiperidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.