(1-Methylpiperidin-4-ylidene)malononitrile
TL;DR: (1-Methylpiperidin-4-ylidene)malononitrile (CAS 837-78-5) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpiperidin-4-ylidene)propanedinitrile
Also Known As: (1-methylpiperidin-4-ylidene)malononitrile, KST-1A8482, 2-(1-methylpiperidin-4-ylidene)propanedinitrile, (1-methylpiperidin-4-ylidene)propanedinitrile, Propanedinitrile,2-(1-methyl-4-piperidinylidene)-
| Molecular Formula | C9H11N3 |
|---|---|
| Molecular Weight | 161.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.09529 |
| Heavy Atoms | 12 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 837-78-5 |
|---|---|
| SMILES | CN1CCC(=C(C#N)C#N)CC1 |
| InChIKey | XPIBLKDWWLFHLD-UHFFFAOYSA-N |
Product Overview
(1-Methylpiperidin-4-ylidene)malononitrile (CAS 837-78-5), with molecular formula C9H11N3 and molecular weight 161.10 g/mol. IUPAC: 2-(1-methylpiperidin-4-ylidene)propanedinitrile.
Chemical Property Profile of (1-Methylpiperidin-4-ylidene)malononitrile
Property Insights of (1-Methylpiperidin-4-ylidene)malononitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Methylpiperidin-4-ylidene)malononitrile. With a topological polar surface area (TPSA) of 50.8 Ų, (1-Methylpiperidin-4-ylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methylpiperidin-4-ylidene)malononitrile 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
Frequently Asked Questions
What is the CAS number of (1-Methylpiperidin-4-ylidene)malononitrile?
The CAS number of (1-Methylpiperidin-4-ylidene)malononitrile is 837-78-5.
What is the molecular formula of (1-Methylpiperidin-4-ylidene)malononitrile?
The molecular formula of (1-Methylpiperidin-4-ylidene)malononitrile is C9H11N3.
What is the molecular weight of (1-Methylpiperidin-4-ylidene)malononitrile?
The molecular weight of (1-Methylpiperidin-4-ylidene)malononitrile is 161.10 g/mol.
Where can I buy (1-Methylpiperidin-4-ylidene)malononitrile?
You can request a quote for (1-Methylpiperidin-4-ylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methylpiperidin-4-ylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (1-Methylpiperidin-4-ylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.