3-Cyano-4-piperidone
TL;DR: 3-Cyano-4-piperidone (CAS 19166-75-7) is a chemical compound with molecular formula C6H8N2O and molecular weight 124.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxopiperidine-3-carbonitrile
Also Known As: 3-CYANO-4-PIPERIDONE, 4-oxopiperidine-3-carbonitrile, 3-Piperidinecarbonitrile,4-oxo-, 3-PIPERIDINECARBONITRILE, 4-OXO-, 4-oxo-piperidine-3-carbonitrile
| Molecular Formula | C6H8N2O |
|---|---|
| Molecular Weight | 124.06 g/mol |
| LogP | -0.31142 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.06366 |
| Heavy Atoms | 9 |
| Complexity | 158.93102 |
Chemical Identifiers
| CAS Number | 19166-75-7 |
|---|---|
| SMILES | C1CNCC(C1=O)C#N |
Product Overview
3-Cyano-4-piperidone (CAS 19166-75-7), with molecular formula C6H8N2O and molecular weight 124.06 g/mol. IUPAC: 4-oxopiperidine-3-carbonitrile.
Chemical Property Profile of 3-Cyano-4-piperidone
Property Insights of 3-Cyano-4-piperidone
The XLogP value of -0.31142 indicates that 3-Cyano-4-piperidone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.89 Ų, 3-Cyano-4-piperidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyano-4-piperidone 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 3-Cyano-4-piperidone?
The CAS number of 3-Cyano-4-piperidone is 19166-75-7.
What is the molecular formula of 3-Cyano-4-piperidone?
The molecular formula of 3-Cyano-4-piperidone is C6H8N2O.
What is the molecular weight of 3-Cyano-4-piperidone?
The molecular weight of 3-Cyano-4-piperidone is 124.06 g/mol.
Where can I buy 3-Cyano-4-piperidone?
You can request a quote for 3-Cyano-4-piperidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-4-piperidone?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-4-piperidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.