2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile
TL;DR: 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile (CAS 6517-69-7) is a chemical compound with molecular formula C20H20N2 and molecular weight 288.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpiperidin-4-ylidene)-2-phenylacetonitrile
Also Known As: 2-(1-benzylpiperidin-4-ylidene)-2-phenylacetonitrile, BAS 08951861, (1-Benzyl-piperidin-4-ylidene)-phenyl-acetonitrile, alpha-[1-(phenylmethyl)piperidin-4-ylidene]phenylacetonitrile, N-Benzyl-4-
| Molecular Formula | C20H20N2 |
|---|---|
| Molecular Weight | 288.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.16266 |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 6517-69-7 |
|---|---|
| SMILES | C1CN(CCC1=C(C#N)C2=CC=CC=C2)CC3=CC=CC=C3 |
| InChIKey | FYLYJFHTUXMPDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile (CAS 6517-69-7), with molecular formula C20H20N2 and molecular weight 288.16 g/mol. IUPAC: 2-(1-benzylpiperidin-4-ylidene)-2-phenylacetonitrile.
Chemical Property Profile of 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile
Property Insights of 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile
The XLogP value of 3.5 indicates that 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile 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-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile?
The CAS number of 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile is 6517-69-7.
What is the molecular formula of 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile?
The molecular formula of 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile is C20H20N2.
What is the molecular weight of 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile?
The molecular weight of 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile is 288.16 g/mol.
Where can I buy 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile?
You can request a quote for 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Benzylpiperidin-4-ylidene)-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.