1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile
TL;DR: 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile (CAS 84254-99-9) is a chemical compound with molecular formula C19H20ClN3 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(3-chloroanilino)piperidine-4-carbonitrile
Also Known As: 1-benzyl-4-[(3-chlorophenyl)amino]piperidine-4-carbonitrile, 1-benzyl-4-(3-chloroanilino)piperidine-4-carbonitrile, 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile, 1-Benzyl-4-(3-Chloroanilino)-4-Cyanopiperidine, 1-Benzyl-4-(3-Chloroanilino)-4-CyanopiperidineA
| Molecular Formula | C19H20ClN3 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.13458 |
| Heavy Atoms | 23 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 84254-99-9 |
|---|---|
| SMILES | C1CN(CCC1(C#N)NC2=CC(=CC=C2)Cl)CC3=CC=CC=C3 |
| InChIKey | RSJDUDFFVNFZPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile (CAS 84254-99-9), with molecular formula C19H20ClN3 and molecular weight 325.13 g/mol. IUPAC: 1-benzyl-4-(3-chloroanilino)piperidine-4-carbonitrile.
Chemical Property Profile of 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile
Property Insights of 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile
The XLogP value of 4.2 indicates that 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.1 Ų, 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile has 1 hydrogen bond donor(s) and 3 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-((3-chlorophenyl)amino)piperidine-4-carbonitrile?
The CAS number of 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile is 84254-99-9.
What is the molecular formula of 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile?
The molecular formula of 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile is C19H20ClN3.
What is the molecular weight of 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile?
The molecular weight of 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile is 325.13 g/mol.
Where can I buy 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile?
You can request a quote for 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile 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-((3-chlorophenyl)amino)piperidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.