Isonipecotic acid hydrochloride
TL;DR: Isonipecotic acid hydrochloride (CAS 5984-56-5) is a chemical compound with molecular formula C6H12ClNO2 and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
piperidine-4-carboxylic acid;hydrochloride
Also Known As: Isonipecotic acid hydrochloride, piperidine-4-carboxylic acid hydrochloride, 4-Piperidinecarboxylic acid, hydrochloride, Adamantane-1,3-diol, Isonipecotic acid, hydrochloride
| Molecular Formula | C6H12ClNO2 |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 0.49 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.05565 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 5984-56-5 |
|---|---|
| SMILES | C1CNCCC1C(=O)O.Cl |
| InChIKey | NVUYWKBRSRPYMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isonipecotic acid hydrochloride (CAS 5984-56-5), with molecular formula C6H12ClNO2 and molecular weight 165.06 g/mol. IUPAC: piperidine-4-carboxylic acid;hydrochloride.
Chemical Property Profile of Isonipecotic acid hydrochloride
Property Insights of Isonipecotic acid hydrochloride
The XLogP value of 0.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonipecotic acid hydrochloride. With a topological polar surface area (TPSA) of 49.3 Ų, Isonipecotic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonipecotic acid hydrochloride has 3 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 Isonipecotic acid hydrochloride?
The CAS number of Isonipecotic acid hydrochloride is 5984-56-5.
What is the molecular formula of Isonipecotic acid hydrochloride?
The molecular formula of Isonipecotic acid hydrochloride is C6H12ClNO2.
What is the molecular weight of Isonipecotic acid hydrochloride?
The molecular weight of Isonipecotic acid hydrochloride is 165.06 g/mol.
Where can I buy Isonipecotic acid hydrochloride?
You can request a quote for Isonipecotic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonipecotic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isonipecotic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.