2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile
TL;DR: 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile (CAS 2828-06-0) is a chemical compound with molecular formula C21H26N2 and molecular weight 306.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-naphthalen-1-yl-4-piperidin-1-ylbutanenitrile
Also Known As: alpha-Ethyl-alpha-(2-piperidinoethyl)-1-naphthaleneacetonitrile, 2-ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile, 5-20-03-00085 (Beilstein Handbook Reference), 1-NAPHTHALENEACETONITRILE, alpha-ETHYL-alpha-(2-PIPERIDINOETHYL)-, 2-ethyl-2-naphthalen-1-yl-4-piperidin-1-ylbutanenitrile
| Molecular Formula | C21H26N2 |
|---|---|
| Molecular Weight | 306.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.2096 |
| Heavy Atoms | 23 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 2828-06-0 |
|---|---|
| SMILES | CCC(CCN1CCCCC1)(C#N)C2=CC=CC3=CC=CC=C32 |
| InChIKey | OBLJBUXADXHZIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile (CAS 2828-06-0), with molecular formula C21H26N2 and molecular weight 306.21 g/mol. IUPAC: 2-ethyl-2-naphthalen-1-yl-4-piperidin-1-ylbutanenitrile.
Chemical Property Profile of 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile
Property Insights of 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile
The XLogP value of 4.8 indicates that 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile 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-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile 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-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile?
The CAS number of 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile is 2828-06-0.
What is the molecular formula of 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile?
The molecular formula of 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile is C21H26N2.
What is the molecular weight of 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile?
The molecular weight of 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile is 306.21 g/mol.
Where can I buy 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile?
You can request a quote for 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.