1-Benzylpiperidine-2,6-dicarbonitrile
TL;DR: 1-Benzylpiperidine-2,6-dicarbonitrile (CAS 106006-86-4) is a chemical compound with molecular formula C14H15N3 and molecular weight 225.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpiperidine-2,6-dicarbonitrile
Also Known As: 1-benzylpiperidine-2,6-dicarbonitrile, cis-1-Benzyl-2,6-dicyanopiperidine, 1-Benzyl-2,6-piperidinedicarbonitrile, 2,6-Piperidinedicarbonitrile, 1-(phenylmethyl)-, (2S,6R)-1-benzylpiperidine-2,6-dicarbonitrile
| Molecular Formula | C14H15N3 |
|---|---|
| Molecular Weight | 225.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.1266 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 106006-86-4 |
|---|---|
| SMILES | C1CC(N(C(C1)C#N)CC2=CC=CC=C2)C#N |
| InChIKey | HYOKFAVTFNEWSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzylpiperidine-2,6-dicarbonitrile (CAS 106006-86-4), with molecular formula C14H15N3 and molecular weight 225.13 g/mol. IUPAC: 1-benzylpiperidine-2,6-dicarbonitrile.
Chemical Property Profile of 1-Benzylpiperidine-2,6-dicarbonitrile
Property Insights of 1-Benzylpiperidine-2,6-dicarbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylpiperidine-2,6-dicarbonitrile. With a topological polar surface area (TPSA) of 50.8 Ų, 1-Benzylpiperidine-2,6-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzylpiperidine-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-Benzylpiperidine-2,6-dicarbonitrile?
The CAS number of 1-Benzylpiperidine-2,6-dicarbonitrile is 106006-86-4.
What is the molecular formula of 1-Benzylpiperidine-2,6-dicarbonitrile?
The molecular formula of 1-Benzylpiperidine-2,6-dicarbonitrile is C14H15N3.
What is the molecular weight of 1-Benzylpiperidine-2,6-dicarbonitrile?
The molecular weight of 1-Benzylpiperidine-2,6-dicarbonitrile is 225.13 g/mol.
Where can I buy 1-Benzylpiperidine-2,6-dicarbonitrile?
You can request a quote for 1-Benzylpiperidine-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-Benzylpiperidine-2,6-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylpiperidine-2,6-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.