2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile
TL;DR: 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile (CAS 1228-02-0) is a chemical compound with molecular formula C19H28N2 and molecular weight 284.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)pentanenitrile
Also Known As: 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile, 3-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)pentanenitrile, 5-20-03-00077 (Beilstein Handbook Reference), Valeronitrile, 2-phenyl-2-(2-piperidinoethyl)-3-methyl-, Valeronitrile, 3-methyl-2-phenyl-2-(2-piperidinoethyl)-
| Molecular Formula | C19H28N2 |
|---|---|
| Molecular Weight | 284.23 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.22525 |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 1228-02-0 |
|---|---|
| SMILES | CCC(C)C(CCN1CCCCC1)(C#N)C2=CC=CC=C2 |
| InChIKey | JHWFWJSHRYEDOF-UHFFFAOYSA-N |
Product Overview
2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile (CAS 1228-02-0), with molecular formula C19H28N2 and molecular weight 284.23 g/mol. IUPAC: 3-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)pentanenitrile.
Chemical Property Profile of 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile
Property Insights of 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile
The XLogP value of 4.5 indicates that 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile 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-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile 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-(2-piperidinoethyl)-3-methylvaleronitrile?
The CAS number of 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile is 1228-02-0.
What is the molecular formula of 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile?
The molecular formula of 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile is C19H28N2.
What is the molecular weight of 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile?
The molecular weight of 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile is 284.23 g/mol.
Where can I buy 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile?
You can request a quote for 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile 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-(2-piperidinoethyl)-3-methylvaleronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.