2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one
TL;DR: 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one (CAS 885459-99-4) is a chemical compound with molecular formula C9H16ClNO and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(3-methylpiperidin-1-yl)propan-1-one
Also Known As: 1-(2-chloropropanoyl)-3-methylpiperidine, 2-chloro-1-(3-methylpiperidin-1-yl)propan-1-one
| Molecular Formula | C9H16ClNO |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 1.8722 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.09204 |
| Heavy Atoms | 12 |
| Complexity | 169.91147 |
Chemical Identifiers
| CAS Number | 885459-99-4 |
|---|---|
| SMILES | CC1CCCN(C1)C(=O)C(C)Cl |
Product Overview
2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one (CAS 885459-99-4), with molecular formula C9H16ClNO and molecular weight 189.09 g/mol. IUPAC: 2-chloro-1-(3-methylpiperidin-1-yl)propan-1-one.
Chemical Property Profile of 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one
Property Insights of 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one
The XLogP value of 1.8722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one. With a topological polar surface area (TPSA) of 20.31 Ų, 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one has 0 hydrogen bond donor(s) and 1 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 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one?
The CAS number of 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one is 885459-99-4.
What is the molecular formula of 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one?
The molecular formula of 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one is C9H16ClNO.
What is the molecular weight of 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one?
The molecular weight of 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one is 189.09 g/mol.
Where can I buy 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one?
You can request a quote for 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(3-methylpiperidin-1-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.