1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile
TL;DR: 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile (CAS 98195-16-5) is a chemical compound with molecular formula C16H19N3 and molecular weight 253.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile
Also Known As: 1-benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile, 1-benzyl-2,6-dimethyl-piperidine-2,6-dicarbonitrile, 2,6-Piperidinedicarbonitrile, 1-(phenylmethyl)-2,6-dimethyl-
| Molecular Formula | C16H19N3 |
|---|---|
| Molecular Weight | 253.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.1579 |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 98195-16-5 |
|---|---|
| SMILES | CC1(CCCC(N1CC2=CC=CC=C2)(C)C#N)C#N |
| InChIKey | VXVWHDYLWGPPOU-UHFFFAOYSA-N |
Product Overview
1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile (CAS 98195-16-5), with molecular formula C16H19N3 and molecular weight 253.16 g/mol. IUPAC: 1-benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile.
Chemical Property Profile of 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile
Property Insights of 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile. With a topological polar surface area (TPSA) of 50.8 Ų, 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile 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 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile?
The CAS number of 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile is 98195-16-5.
What is the molecular formula of 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile?
The molecular formula of 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile is C16H19N3.
What is the molecular weight of 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile?
The molecular weight of 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile is 253.16 g/mol.
Where can I buy 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile?
You can request a quote for 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2,6-dimethylpiperidine-2,6-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.