2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one
TL;DR: 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one (CAS 4593-19-5) is a chemical compound with molecular formula C8H14ClNO and molecular weight 175.08 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)ethanone
Also Known As: 2-Chloro-1-(3-methyl-piperidin-1-yl)-ethanone, 2-chloro-1-(3-methylpiperidin-1-yl)ethanone, 1-(chloroacetyl)-3-methylpiperidine, 2-CHLORO-1- -ETHANONE, 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one
| Molecular Formula | C8H14ClNO |
|---|---|
| Molecular Weight | 175.08 g/mol |
| LogP | 1.4837 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07639 |
| Heavy Atoms | 11 |
| Complexity | 149.02748 |
Chemical Identifiers
| CAS Number | 4593-19-5 |
|---|---|
| SMILES | CC1CCCN(C1)C(=O)CCl |
Product Overview
2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one (CAS 4593-19-5), with molecular formula C8H14ClNO and molecular weight 175.08 g/mol. IUPAC: 2-chloro-1-(3-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one
Property Insights of 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one
The XLogP value of 1.4837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one. With a topological polar surface area (TPSA) of 20.31 Ų, 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-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)ethan-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)ethan-1-one?
The CAS number of 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one is 4593-19-5.
What is the molecular formula of 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one?
The molecular formula of 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one is C8H14ClNO.
What is the molecular weight of 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one?
The molecular weight of 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one is 175.08 g/mol.
Where can I buy 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one?
You can request a quote for 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-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)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.