2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile
TL;DR: 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile (CAS 64647-41-2) is a chemical compound with molecular formula C21H26N2S and molecular weight 338.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-(4-methylpiperidin-1-yl)-2-thiophen-2-ylbutanenitrile
Also Known As: 4-Methyl-alpha-(phenylmethyl)-alpha-2-thienyl-1-piperidinebutanenitrile, 2-benzyl-4-(4-methylpiperidin-1-yl)-2-thiophen-2-ylbutanenitrile, 1-Piperidinebutyronitrile, 4-methyl-alpha-(phenylmethyl)-alpha-2-thienyl-, 2-BENZYL-4-(4-METHYLPIPERIDIN-1-YL)-2-(THIOPHEN-2-YL)BUTANENITRILE, 4-diethylamino-2-isopropyl-2-thiophen-2-yl-butyronitrile
| Molecular Formula | C21H26N2S |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | 4.87418 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.18167 |
| Heavy Atoms | 24 |
| Complexity | 650.9021 |
Chemical Identifiers
| CAS Number | 64647-41-2 |
|---|---|
| SMILES | CC1CCN(CC1)CCC(CC2=CC=CC=C2)(C#N)C3=CC=CS3 |
Product Overview
2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile (CAS 64647-41-2), with molecular formula C21H26N2S and molecular weight 338.18 g/mol. IUPAC: 2-benzyl-4-(4-methylpiperidin-1-yl)-2-thiophen-2-ylbutanenitrile.
Chemical Property Profile of 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile
Property Insights of 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile
The XLogP value of 4.87418 indicates that 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.03 Ų, 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile 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 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile?
The CAS number of 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile is 64647-41-2.
What is the molecular formula of 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile?
The molecular formula of 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile is C21H26N2S.
What is the molecular weight of 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile?
The molecular weight of 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile is 338.18 g/mol.
Where can I buy 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile?
You can request a quote for 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-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-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.