1-(gamma-Chloropropyl)-2-chloromethylpiperidine
TL;DR: 1-(gamma-Chloropropyl)-2-chloromethylpiperidine (CAS 81241-79-4) is a chemical compound with molecular formula C1CCN(C(C1)CCl)CCCCl and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-1-(3-chloropropyl)piperidine
Also Known As: piperidine,2-1-,hydrobromide, 1-(gamma-Chloropropyl)-2-chloromethylpiperidine, Sid 709899, 2-(chloromethyl)-1-(3-chloropropyl)piperidine, Piperidine, 2-(chloromethyl)-1-(3-chloropropyl)
| Molecular Formula | C1CCN(C(C1)CCl)CCCCl |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0738 |
| Heavy Atoms | 12 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 81241-79-4 |
|---|---|
| SMILES | C1CCN(C(C1)CCl)CCCCl |
| InChIKey | DJDLKHMZWYZCFR-UHFFFAOYSA-N |
Product Overview
1-(gamma-Chloropropyl)-2-chloromethylpiperidine (CAS 81241-79-4), with molecular formula C1CCN(C(C1)CCl)CCCCl and molecular weight 209.07 g/mol. IUPAC: 2-(chloromethyl)-1-(3-chloropropyl)piperidine.
Chemical Property Profile of 1-(gamma-Chloropropyl)-2-chloromethylpiperidine
Property Insights of 1-(gamma-Chloropropyl)-2-chloromethylpiperidine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(gamma-Chloropropyl)-2-chloromethylpiperidine. With a topological polar surface area (TPSA) of 3.2 Ų, 1-(gamma-Chloropropyl)-2-chloromethylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(gamma-Chloropropyl)-2-chloromethylpiperidine 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 1-(gamma-Chloropropyl)-2-chloromethylpiperidine?
The CAS number of 1-(gamma-Chloropropyl)-2-chloromethylpiperidine is 81241-79-4.
What is the molecular formula of 1-(gamma-Chloropropyl)-2-chloromethylpiperidine?
The molecular formula of 1-(gamma-Chloropropyl)-2-chloromethylpiperidine is C1CCN(C(C1)CCl)CCCCl.
What is the molecular weight of 1-(gamma-Chloropropyl)-2-chloromethylpiperidine?
The molecular weight of 1-(gamma-Chloropropyl)-2-chloromethylpiperidine is 209.07 g/mol.
Where can I buy 1-(gamma-Chloropropyl)-2-chloromethylpiperidine?
You can request a quote for 1-(gamma-Chloropropyl)-2-chloromethylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(gamma-Chloropropyl)-2-chloromethylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(gamma-Chloropropyl)-2-chloromethylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.