4-(4-Methyl-piperidin-1-yl)-benzonitrile
TL;DR: 4-(4-Methyl-piperidin-1-yl)-benzonitrile (CAS 85872-87-3) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylpiperidin-1-yl)benzonitrile
Also Known As: 4-(4-Methyl-piperidin-1-yl)-benzonitrile, 4-(4-methylpiperidin-1-yl)benzonitrile, TimTec1_008214, 4-(4-Methylpiperidino)benzonitrile, 4-(4-methyl-1-piperidyl)benzonitrile
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 2.79458 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 353.1175 |
Chemical Identifiers
| CAS Number | 85872-87-3 |
|---|---|
| SMILES | CC1CCN(CC1)C2=CC=C(C=C2)C#N |
Product Overview
4-(4-Methyl-piperidin-1-yl)-benzonitrile (CAS 85872-87-3), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 4-(4-methylpiperidin-1-yl)benzonitrile.
Chemical Property Profile of 4-(4-Methyl-piperidin-1-yl)-benzonitrile
Property Insights of 4-(4-Methyl-piperidin-1-yl)-benzonitrile
The XLogP value of 2.79458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methyl-piperidin-1-yl)-benzonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 4-(4-Methyl-piperidin-1-yl)-benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methyl-piperidin-1-yl)-benzonitrile 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 4-(4-Methyl-piperidin-1-yl)-benzonitrile?
The CAS number of 4-(4-Methyl-piperidin-1-yl)-benzonitrile is 85872-87-3.
What is the molecular formula of 4-(4-Methyl-piperidin-1-yl)-benzonitrile?
The molecular formula of 4-(4-Methyl-piperidin-1-yl)-benzonitrile is C13H16N2.
What is the molecular weight of 4-(4-Methyl-piperidin-1-yl)-benzonitrile?
The molecular weight of 4-(4-Methyl-piperidin-1-yl)-benzonitrile is 200.13 g/mol.
Where can I buy 4-(4-Methyl-piperidin-1-yl)-benzonitrile?
You can request a quote for 4-(4-Methyl-piperidin-1-yl)-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methyl-piperidin-1-yl)-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methyl-piperidin-1-yl)-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.