1-Benzylpiperidine-4-acetonitrile
TL;DR: 1-Benzylpiperidine-4-acetonitrile (CAS 78056-67-4) is a chemical compound with molecular formula C14H18N2 and molecular weight 214.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpiperidin-4-yl)acetonitrile
Also Known As: 2-(1-benzylpiperidin-4-yl)acetonitrile, 2-(1-Benzyl-4-piperidyl)acetonitrile, 1-Benzylpiperidine-4-acetonitrile, (1-BENZYLPIPERIDIN-4-YL)ACETONITRILE, EINECS 278-822-6
| Molecular Formula | C14H18N2 |
|---|---|
| Molecular Weight | 214.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.147 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 78056-67-4 |
|---|---|
| SMILES | C1CN(CCC1CC#N)CC2=CC=CC=C2 |
| InChIKey | ZKOHFVJCKMHYSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzylpiperidine-4-acetonitrile (CAS 78056-67-4), with molecular formula C14H18N2 and molecular weight 214.15 g/mol. IUPAC: 2-(1-benzylpiperidin-4-yl)acetonitrile.
Chemical Property Profile of 1-Benzylpiperidine-4-acetonitrile
Property Insights of 1-Benzylpiperidine-4-acetonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylpiperidine-4-acetonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 1-Benzylpiperidine-4-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzylpiperidine-4-acetonitrile 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 1-Benzylpiperidine-4-acetonitrile?
The CAS number of 1-Benzylpiperidine-4-acetonitrile is 78056-67-4.
What is the molecular formula of 1-Benzylpiperidine-4-acetonitrile?
The molecular formula of 1-Benzylpiperidine-4-acetonitrile is C14H18N2.
What is the molecular weight of 1-Benzylpiperidine-4-acetonitrile?
The molecular weight of 1-Benzylpiperidine-4-acetonitrile is 214.15 g/mol.
Where can I buy 1-Benzylpiperidine-4-acetonitrile?
You can request a quote for 1-Benzylpiperidine-4-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylpiperidine-4-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylpiperidine-4-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.