2-Phenyl-2-piperidinoacetonitrile
TL;DR: 2-Phenyl-2-piperidinoacetonitrile (CAS 5766-79-0) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-piperidin-1-ylacetonitrile
Also Known As: 2-Phenyl-2-piperidinoacetonitrile, 2-phenyl-2-(piperidin-1-yl)acetonitrile, Phenylpiperidinoacetonitrile, USAF A-2217, Maybridge1_000058
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 5766-79-0 |
|---|---|
| SMILES | C1CCN(CC1)C(C#N)C2=CC=CC=C2 |
| InChIKey | IXQJQHORYHYKBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-2-piperidinoacetonitrile (CAS 5766-79-0), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 2-phenyl-2-piperidin-1-ylacetonitrile.
Chemical Property Profile of 2-Phenyl-2-piperidinoacetonitrile
Property Insights of 2-Phenyl-2-piperidinoacetonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-2-piperidinoacetonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 2-Phenyl-2-piperidinoacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2-piperidinoacetonitrile has 0 hydrogen bond donor(s) and 2 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 2-Phenyl-2-piperidinoacetonitrile?
The CAS number of 2-Phenyl-2-piperidinoacetonitrile is 5766-79-0.
What is the molecular formula of 2-Phenyl-2-piperidinoacetonitrile?
The molecular formula of 2-Phenyl-2-piperidinoacetonitrile is C13H16N2.
What is the molecular weight of 2-Phenyl-2-piperidinoacetonitrile?
The molecular weight of 2-Phenyl-2-piperidinoacetonitrile is 200.13 g/mol.
Where can I buy 2-Phenyl-2-piperidinoacetonitrile?
You can request a quote for 2-Phenyl-2-piperidinoacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-2-piperidinoacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-2-piperidinoacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.