(4-Piperidin-1-ylbenzylidene)malononitrile
TL;DR: (4-Piperidin-1-ylbenzylidene)malononitrile (CAS 66883-91-8) is a chemical compound with molecular formula C15H15N3 and molecular weight 237.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-piperidin-1-ylphenyl)methylidene]propanedinitrile
Also Known As: (4-piperidin-1-ylbenzylidene)malononitrile, piperidinodicyanostyrene, 4-Piperidinodicyanostyrene, 4-piperidinobenzylidenemalononitrile, 4-piperidinobenzylidene malononitrile
| Molecular Formula | C15H15N3 |
|---|---|
| Molecular Weight | 237.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.1266 |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 66883-91-8 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC=C(C=C2)C=C(C#N)C#N |
| InChIKey | HLAGCEWHZAVNHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Piperidin-1-ylbenzylidene)malononitrile (CAS 66883-91-8), with molecular formula C15H15N3 and molecular weight 237.13 g/mol. IUPAC: 2-[(4-piperidin-1-ylphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (4-Piperidin-1-ylbenzylidene)malononitrile
Property Insights of (4-Piperidin-1-ylbenzylidene)malononitrile
The XLogP value of 3.0 indicates that (4-Piperidin-1-ylbenzylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, (4-Piperidin-1-ylbenzylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Piperidin-1-ylbenzylidene)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 (4-Piperidin-1-ylbenzylidene)malononitrile?
The CAS number of (4-Piperidin-1-ylbenzylidene)malononitrile is 66883-91-8.
What is the molecular formula of (4-Piperidin-1-ylbenzylidene)malononitrile?
The molecular formula of (4-Piperidin-1-ylbenzylidene)malononitrile is C15H15N3.
What is the molecular weight of (4-Piperidin-1-ylbenzylidene)malononitrile?
The molecular weight of (4-Piperidin-1-ylbenzylidene)malononitrile is 237.13 g/mol.
Where can I buy (4-Piperidin-1-ylbenzylidene)malononitrile?
You can request a quote for (4-Piperidin-1-ylbenzylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Piperidin-1-ylbenzylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Piperidin-1-ylbenzylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.