Butyronitrile, 2-methyl-2-phenyl-4-piperidino-
TL;DR: Butyronitrile, 2-methyl-2-phenyl-4-piperidino- (CAS 2809-48-5) is a chemical compound with molecular formula C16H22N2 and molecular weight 242.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-phenyl-4-piperidin-1-ylbutanenitrile
Also Known As: 2-Methyl-2-phenyl-4-piperidinobutyronitrile, 2-methyl-2-phenyl-4- butanenitrile, 2-methyl-2-phenyl-4-(1-piperidyl)butanenitrile, BUTYRONITRILE, 2-METHYL-2-PHENYL-4-PIPERIDINO-, 1-Piperidinebutanenitrile,a-methyl-a-phenyl-
| Molecular Formula | C16H22N2 |
|---|---|
| Molecular Weight | 242.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.1783 |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 2809-48-5 |
|---|---|
| SMILES | CC(CCN1CCCCC1)(C#N)C2=CC=CC=C2 |
| InChIKey | BHQDNXUEOQZESE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyronitrile, 2-methyl-2-phenyl-4-piperidino- (CAS 2809-48-5), with molecular formula C16H22N2 and molecular weight 242.18 g/mol. IUPAC: 2-methyl-2-phenyl-4-piperidin-1-ylbutanenitrile.
Chemical Property Profile of Butyronitrile, 2-methyl-2-phenyl-4-piperidino-
Property Insights of Butyronitrile, 2-methyl-2-phenyl-4-piperidino-
The XLogP value of 3.2 indicates that Butyronitrile, 2-methyl-2-phenyl-4-piperidino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, Butyronitrile, 2-methyl-2-phenyl-4-piperidino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 2-methyl-2-phenyl-4-piperidino- 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 Butyronitrile, 2-methyl-2-phenyl-4-piperidino-?
The CAS number of Butyronitrile, 2-methyl-2-phenyl-4-piperidino- is 2809-48-5.
What is the molecular formula of Butyronitrile, 2-methyl-2-phenyl-4-piperidino-?
The molecular formula of Butyronitrile, 2-methyl-2-phenyl-4-piperidino- is C16H22N2.
What is the molecular weight of Butyronitrile, 2-methyl-2-phenyl-4-piperidino-?
The molecular weight of Butyronitrile, 2-methyl-2-phenyl-4-piperidino- is 242.18 g/mol.
Where can I buy Butyronitrile, 2-methyl-2-phenyl-4-piperidino-?
You can request a quote for Butyronitrile, 2-methyl-2-phenyl-4-piperidino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyronitrile, 2-methyl-2-phenyl-4-piperidino-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 2-methyl-2-phenyl-4-piperidino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.