(1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride
TL;DR: (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride (CAS 6599-09-3) is a chemical compound with molecular formula C20H21ClN2 and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpiperidin-4-ylidene)-2-phenylacetonitrile;hydrochloride
Also Known As: (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride, 1-benzyl-4-(alpha-cyanobenzylidene)-piperidine hcl, 2-(1-benzylpiperidin-4-ylidene)-2-phenylacetonitrile hydrochloride, (1-Benzylpiperidin-4-ylidene)(phenyl)acetonitrile--hydrogen chloride (1/1)
| Molecular Formula | C20H21ClN2 |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 4.68158 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.1393 |
| Heavy Atoms | 23 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 6599-09-3 |
|---|---|
| SMILES | C1CN(CCC1=C(C#N)C2=CC=CC=C2)CC3=CC=CC=C3.Cl |
| InChIKey | GGLKMPGIFACVPN-UHFFFAOYSA-N |
Product Overview
(1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride (CAS 6599-09-3), with molecular formula C20H21ClN2 and molecular weight 324.14 g/mol. IUPAC: 2-(1-benzylpiperidin-4-ylidene)-2-phenylacetonitrile;hydrochloride.
Chemical Property Profile of (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride
Property Insights of (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride
The XLogP value of 4.68158 indicates that (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride 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 (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride?
The CAS number of (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride is 6599-09-3.
What is the molecular formula of (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride?
The molecular formula of (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride is C20H21ClN2.
What is the molecular weight of (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride?
The molecular weight of (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride is 324.14 g/mol.
Where can I buy (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride?
You can request a quote for (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (1-Benzyl-4-piperidinylidene)(phenyl)acetonitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.