1-Acetylpiperidine-4-carbonyl chloride
TL;DR: 1-Acetylpiperidine-4-carbonyl chloride (CAS 59084-16-1) is a chemical compound with molecular formula C8H12ClNO2 and molecular weight 189.05565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-acetylpiperidine-4-carbonyl chloride
Also Known As: 1-Acetylpiperidine-4-carbonyl chloride, 1-Acetylisonipecotoyl chloride, Iloperidone Impurity 11, 1-Acetyl Isonipecotoyl Chloride, 1-acetyl-4-piperidinecarbonyl chloride
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H12ClNO2 |
| Molecular Weight | 189.05565 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.05565 Da |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
| SMILES | CC(=O)N1CCC(CC1)C(=O)Cl |
| InChIKey | OHCPVLJEAHBMEG-UHFFFAOYSA-N |
Chemical Property Profile of 1-Acetylpiperidine-4-carbonyl chloride
Property Insights of 1-Acetylpiperidine-4-carbonyl chloride
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetylpiperidine-4-carbonyl chloride. With a topological polar surface area (TPSA) of 37.4 Ų, 1-Acetylpiperidine-4-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetylpiperidine-4-carbonyl chloride 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-Acetylpiperidine-4-carbonyl chloride?
The CAS number of 1-Acetylpiperidine-4-carbonyl chloride is 59084-16-1.
What is the molecular formula of 1-Acetylpiperidine-4-carbonyl chloride?
The molecular formula of 1-Acetylpiperidine-4-carbonyl chloride is C8H12ClNO2.
What is the molecular weight of 1-Acetylpiperidine-4-carbonyl chloride?
The molecular weight of 1-Acetylpiperidine-4-carbonyl chloride is 189.05565 g/mol.
Where can I buy 1-Acetylpiperidine-4-carbonyl chloride?
You can request a quote for 1-Acetylpiperidine-4-carbonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Acetylpiperidine-4-carbonyl chloride?
Yes, CoreyChem provides custom synthesis services for 1-Acetylpiperidine-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.