4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile
TL;DR: 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile (CAS 5460-79-7) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methoxyphenyl)-1-methylpiperidine-4-carbonitrile
Also Known As: 1-Methyl-4-cyano-4-(3-methoxyphenyl)piperidine, 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile, styryl vinyl ketone, 1-Methyl-4-cyano-4-(3-methoxyphenyl)-piperidine, 4-(3-Methoxyphenyl)-1-methyl-4-piperidinecarbonitrile
| Molecular Formula | C14H18N2O |
|---|---|
| Molecular Weight | 230.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.1419 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
| Solubility | >34.5 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 5460-79-7 |
|---|---|
| SMILES | CN1CCC(CC1)(C#N)C2=CC(=CC=C2)OC |
| InChIKey | COYLNHITVXBZPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile (CAS 5460-79-7), with molecular formula C14H18N2O and molecular weight 230.14 g/mol. IUPAC: 4-(3-methoxyphenyl)-1-methylpiperidine-4-carbonitrile.
Chemical Property Profile of 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile
Property Insights of 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile. With a topological polar surface area (TPSA) of 36.3 Ų, 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile 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 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile?
The CAS number of 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile is 5460-79-7.
What is the molecular formula of 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile?
The molecular formula of 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile is C14H18N2O.
What is the molecular weight of 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile?
The molecular weight of 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile is 230.14 g/mol.
Where can I buy 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile?
You can request a quote for 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.