alpha-Phenylpiperidine-4-acetonitrile monohydrochloride
TL;DR: alpha-Phenylpiperidine-4-acetonitrile monohydrochloride (CAS 83898-13-9) 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.
2-phenyl-2-piperidin-4-ylacetonitrile
Also Known As: 2-phenyl-2-(piperidin-4-yl)acetonitrile, EINECS 281-221-1, 2-phenyl-2-piperidin-4-ylacetonitrile, alpha-Phenyl-4-piperidineacetonitrile, alpha-Phenylpiperidine-4-acetonitrile HCl
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 83898-13-9 |
|---|---|
| SMILES | C1CNCCC1C(C#N)C2=CC=CC=C2 |
| InChIKey | KMTKDSAEYAXGJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Phenylpiperidine-4-acetonitrile monohydrochloride (CAS 83898-13-9), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 2-phenyl-2-piperidin-4-ylacetonitrile.
Chemical Property Profile of alpha-Phenylpiperidine-4-acetonitrile monohydrochloride
Property Insights of alpha-Phenylpiperidine-4-acetonitrile monohydrochloride
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Phenylpiperidine-4-acetonitrile monohydrochloride. With a topological polar surface area (TPSA) of 35.8 Ų, alpha-Phenylpiperidine-4-acetonitrile monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Phenylpiperidine-4-acetonitrile monohydrochloride has 1 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 alpha-Phenylpiperidine-4-acetonitrile monohydrochloride?
The CAS number of alpha-Phenylpiperidine-4-acetonitrile monohydrochloride is 83898-13-9.
What is the molecular formula of alpha-Phenylpiperidine-4-acetonitrile monohydrochloride?
The molecular formula of alpha-Phenylpiperidine-4-acetonitrile monohydrochloride is C13H16N2.
What is the molecular weight of alpha-Phenylpiperidine-4-acetonitrile monohydrochloride?
The molecular weight of alpha-Phenylpiperidine-4-acetonitrile monohydrochloride is 200.13 g/mol.
Where can I buy alpha-Phenylpiperidine-4-acetonitrile monohydrochloride?
You can request a quote for alpha-Phenylpiperidine-4-acetonitrile monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Phenylpiperidine-4-acetonitrile monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-Phenylpiperidine-4-acetonitrile monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.