6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone
TL;DR: 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone (CAS 3612-22-4) is a chemical compound with molecular formula C13H16ClNO and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chlorophenyl)-2,2-dimethylpiperidin-4-one
Also Known As: 6-(m-Chlorophenyl)-2,2-dimethyl-4-piperidone, 6-(3-chlorophenyl)-2,2-dimethylpiperidin-4-one, 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone, 4-Piperidone, 6-(m-chlorophenyl)-2,2-dimethyl-, 5-21-08-00170 (Beilstein Handbook Reference)
| Molecular Formula | C13H16ClNO |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.09204 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 3612-22-4 |
|---|---|
| SMILES | CC1(CC(=O)CC(N1)C2=CC(=CC=C2)Cl)C |
| InChIKey | KKFNBHRKUHKNEC-UHFFFAOYSA-N |
Product Overview
6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone (CAS 3612-22-4), with molecular formula C13H16ClNO and molecular weight 237.09 g/mol. IUPAC: 6-(3-chlorophenyl)-2,2-dimethylpiperidin-4-one.
Chemical Property Profile of 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone
Property Insights of 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone. With a topological polar surface area (TPSA) of 29.1 Ų, 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone has 1 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 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone?
The CAS number of 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone is 3612-22-4.
What is the molecular formula of 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone?
The molecular formula of 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone is C13H16ClNO.
What is the molecular weight of 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone?
The molecular weight of 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone is 237.09 g/mol.
Where can I buy 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone?
You can request a quote for 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.