1-Benzyl-4-(chloromethyl)piperidine
TL;DR: 1-Benzyl-4-(chloromethyl)piperidine (CAS 67686-03-7) is a chemical compound with molecular formula C13H18ClN and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(chloromethyl)piperidine
Also Known As: 1-benzyl-4-(chloromethyl)piperidine, 1-Benzyl-4-chloromethyl-piperidine, 1-Benzyl-4-chloromethylpiperidine, Piperidine, 4-(chloromethyl)-1-(phenylmethyl)-, 1-BENZYL-4-(CHLOROMETHYL)PIPERIDINE HYDROCHLORIDE
| Molecular Formula | C13H18ClN |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.11278 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 67686-03-7 |
|---|---|
| SMILES | C1CN(CCC1CCl)CC2=CC=CC=C2 |
| InChIKey | JQRPAXCUPFDKRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-4-(chloromethyl)piperidine (CAS 67686-03-7), with molecular formula C13H18ClN and molecular weight 223.11 g/mol. IUPAC: 1-benzyl-4-(chloromethyl)piperidine.
Chemical Property Profile of 1-Benzyl-4-(chloromethyl)piperidine
Property Insights of 1-Benzyl-4-(chloromethyl)piperidine
The XLogP value of 3.1 indicates that 1-Benzyl-4-(chloromethyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Benzyl-4-(chloromethyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(chloromethyl)piperidine 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-Benzyl-4-(chloromethyl)piperidine?
The CAS number of 1-Benzyl-4-(chloromethyl)piperidine is 67686-03-7.
What is the molecular formula of 1-Benzyl-4-(chloromethyl)piperidine?
The molecular formula of 1-Benzyl-4-(chloromethyl)piperidine is C13H18ClN.
What is the molecular weight of 1-Benzyl-4-(chloromethyl)piperidine?
The molecular weight of 1-Benzyl-4-(chloromethyl)piperidine is 223.11 g/mol.
Where can I buy 1-Benzyl-4-(chloromethyl)piperidine?
You can request a quote for 1-Benzyl-4-(chloromethyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-(chloromethyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(chloromethyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.