1-Methyl-4-oxopiperidine-3-carbonitrile
TL;DR: 1-Methyl-4-oxopiperidine-3-carbonitrile (CAS 13049-81-5) is a chemical compound with molecular formula C7H10N2O and molecular weight 138.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-oxopiperidine-3-carbonitrile
Also Known As: 1-methyl-4-oxopiperidine-3-carbonitrile, NIPECOTONITRILE, 1-METHYL-4-OXO, 1-Methyl-4-oxo-piperidine-3-carbonitrile, Nipecotonitrile, 1-methyl-4-oxo- (7CI,8CI)
Technical Specifications
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.07932 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.07932 Da |
| Heavy Atoms | 10 |
| Complexity | 191.0 |
| SMILES | CN1CCC(=O)C(C1)C#N |
| InChIKey | KAUIYKXQTLOQLX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-4-oxopiperidine-3-carbonitrile
Property Insights of 1-Methyl-4-oxopiperidine-3-carbonitrile
The XLogP value of -0.3 indicates that 1-Methyl-4-oxopiperidine-3-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.1 Ų, 1-Methyl-4-oxopiperidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-oxopiperidine-3-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-4-oxopiperidine-3-carbonitrile?
The CAS number of 1-Methyl-4-oxopiperidine-3-carbonitrile is 13049-81-5.
What is the molecular formula of 1-Methyl-4-oxopiperidine-3-carbonitrile?
The molecular formula of 1-Methyl-4-oxopiperidine-3-carbonitrile is C7H10N2O.
What is the molecular weight of 1-Methyl-4-oxopiperidine-3-carbonitrile?
The molecular weight of 1-Methyl-4-oxopiperidine-3-carbonitrile is 138.07932 g/mol.
Where can I buy 1-Methyl-4-oxopiperidine-3-carbonitrile?
You can request a quote for 1-Methyl-4-oxopiperidine-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-4-oxopiperidine-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-4-oxopiperidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.