4-Chloro-1-benzylpiperidinium chloride
TL;DR: 4-Chloro-1-benzylpiperidinium chloride (CAS 21937-57-5) is a chemical compound with molecular formula C12H17Cl2N and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-chloropiperidin-1-ium chloride
Also Known As: 4-Chloro-1-benzylpiperidinium chloride, 1-Benzyl-4-chloropiperidinium chloride, 1-benzyl-4-chloropiperidine hydrochloride, 1-benzyl-4-chloropiperidin-1-ium;chloride
| Molecular Formula | C12H17Cl2N |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | -1.5233 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.0738 |
| Heavy Atoms | 15 |
| Complexity | 268.21042 |
Chemical Identifiers
| CAS Number | 21937-57-5 |
|---|---|
| SMILES | C1C[NH+](CCC1Cl)CC2=CC=CC=C2.[Cl-] |
Product Overview
4-Chloro-1-benzylpiperidinium chloride (CAS 21937-57-5), with molecular formula C12H17Cl2N and molecular weight 245.07 g/mol. IUPAC: 1-benzyl-4-chloropiperidin-1-ium chloride.
Chemical Property Profile of 4-Chloro-1-benzylpiperidinium chloride
Property Insights of 4-Chloro-1-benzylpiperidinium chloride
The XLogP value of -1.5233 indicates that 4-Chloro-1-benzylpiperidinium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.44 Ų, 4-Chloro-1-benzylpiperidinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-benzylpiperidinium chloride has 1 hydrogen bond donor(s) and 0 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 4-Chloro-1-benzylpiperidinium chloride?
The CAS number of 4-Chloro-1-benzylpiperidinium chloride is 21937-57-5.
What is the molecular formula of 4-Chloro-1-benzylpiperidinium chloride?
The molecular formula of 4-Chloro-1-benzylpiperidinium chloride is C12H17Cl2N.
What is the molecular weight of 4-Chloro-1-benzylpiperidinium chloride?
The molecular weight of 4-Chloro-1-benzylpiperidinium chloride is 245.07 g/mol.
Where can I buy 4-Chloro-1-benzylpiperidinium chloride?
You can request a quote for 4-Chloro-1-benzylpiperidinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-benzylpiperidinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-benzylpiperidinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.