1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid
TL;DR: 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid (CAS 85098-64-2) is a chemical compound with molecular formula C19H22N2O2 and molecular weight 310.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-1-benzylpiperidine-4-carboxylic acid
Also Known As: 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid, hydrochloricacid, 4-Anilino-1-benzyl-4-piperidinecarboxylic acid, 4-anilino-1-benzylpiperidine-4-carboxylic acid, NCIStruc1_001410
| Molecular Formula | C19H22N2O2 |
|---|---|
| Molecular Weight | 310.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.16812 |
| Heavy Atoms | 23 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 85098-64-2 |
|---|---|
| SMILES | C1CN(CCC1(C(=O)O)NC2=CC=CC=C2)CC3=CC=CC=C3 |
| InChIKey | YFSCBWDAVTYIMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid (CAS 85098-64-2), with molecular formula C19H22N2O2 and molecular weight 310.17 g/mol. IUPAC: 4-anilino-1-benzylpiperidine-4-carboxylic acid.
Chemical Property Profile of 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid
Property Insights of 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid has 2 hydrogen bond donor(s) and 4 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-(phenylamino)piperidine-4-carboxylic acid?
The CAS number of 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid is 85098-64-2.
What is the molecular formula of 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid?
The molecular formula of 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid is C19H22N2O2.
What is the molecular weight of 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid?
The molecular weight of 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid is 310.17 g/mol.
Where can I buy 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid?
You can request a quote for 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid 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-(phenylamino)piperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.