Piperidine-2,6-dicarbonitrile
TL;DR: Piperidine-2,6-dicarbonitrile (CAS 41980-31-8) is a chemical compound with molecular formula C7H9N3 and molecular weight 135.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
piperidine-2,6-dicarbonitrile
Also Known As: piperidine-2,6-dicarbonitrile, Piperidin-2,6-dicarbonitril, 2,6-Piperidinedicarbonitrile, 3028AE, 4CH-023011
| Molecular Formula | C7H9N3 |
|---|---|
| Molecular Weight | 135.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.07965 |
| Heavy Atoms | 10 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 41980-31-8 |
|---|---|
| SMILES | C1CC(NC(C1)C#N)C#N |
| InChIKey | YIUPHEPARZCBPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piperidine-2,6-dicarbonitrile (CAS 41980-31-8), with molecular formula C7H9N3 and molecular weight 135.08 g/mol. IUPAC: piperidine-2,6-dicarbonitrile.
Chemical Property Profile of Piperidine-2,6-dicarbonitrile
Property Insights of Piperidine-2,6-dicarbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine-2,6-dicarbonitrile. With a topological polar surface area (TPSA) of 59.6 Ų, Piperidine-2,6-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidine-2,6-dicarbonitrile 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 Piperidine-2,6-dicarbonitrile?
The CAS number of Piperidine-2,6-dicarbonitrile is 41980-31-8.
What is the molecular formula of Piperidine-2,6-dicarbonitrile?
The molecular formula of Piperidine-2,6-dicarbonitrile is C7H9N3.
What is the molecular weight of Piperidine-2,6-dicarbonitrile?
The molecular weight of Piperidine-2,6-dicarbonitrile is 135.08 g/mol.
Where can I buy Piperidine-2,6-dicarbonitrile?
You can request a quote for Piperidine-2,6-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidine-2,6-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Piperidine-2,6-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.