4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)
TL;DR: 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1) (CAS 61087-51-2) is a chemical compound with molecular formula C19H23ClN2O2 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzyl-4-carboxypiperidin-4-yl)-phenylazanium chloride
Also Known As: 4-Anilino-1-benzylisonipecotic acid hydrochloride, ISONIPECOTIC ACID, 4-ANILINO-1-BENZYL-, HYDROCHLORIDE, 4-Piperidinecarboxylic acid, 1-benzyl-4-anilino-, hydrochloride, (1-benzyl-4-carboxypiperidin-4-yl)-phenylazanium chloride, 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid monohydrochloride
| Molecular Formula | C19H23ClN2O2 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1448 |
| Heavy Atoms | 24 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 61087-51-2 |
|---|---|
| SMILES | C1CN(CCC1(C(=O)O)[NH2+]C2=CC=CC=C2)CC3=CC=CC=C3.[Cl-] |
| InChIKey | XPWBXWQFCBZDLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1) (CAS 61087-51-2), with molecular formula C19H23ClN2O2 and molecular weight 346.14 g/mol. IUPAC: (1-benzyl-4-carboxypiperidin-4-yl)-phenylazanium chloride.
Chemical Property Profile of 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)
Property Insights of 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)
The XLogP value of -1.0 indicates that 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.2 Ų, 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1) 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 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)?
The CAS number of 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1) is 61087-51-2.
What is the molecular formula of 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)?
The molecular formula of 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1) is C19H23ClN2O2.
What is the molecular weight of 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)?
The molecular weight of 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1) is 346.14 g/mol.
Where can I buy 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)?
You can request a quote for 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.