alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile
TL;DR: alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile (CAS 7254-21-9) is a chemical compound with molecular formula C20H22N2 and molecular weight 290.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile
Also Known As: 2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile, 1-Benzyl-4- -piperidine, 1-benzyl-4-(alpha-cyanobenzyl)-piperidine, 1-Benzyl-alpha-phenylpiperidine-4-acetonitrile, (1-benzyl-4-piperidinyl)(phenyl)acetonitrile
| Molecular Formula | C20H22N2 |
|---|---|
| Molecular Weight | 290.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.17828 |
| Heavy Atoms | 22 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 7254-21-9 |
|---|---|
| SMILES | C1CN(CCC1C(C#N)C2=CC=CC=C2)CC3=CC=CC=C3 |
| InChIKey | MHFBISFDLRWTLQ-UHFFFAOYSA-N |
Product Overview
alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile (CAS 7254-21-9), with molecular formula C20H22N2 and molecular weight 290.18 g/mol. IUPAC: 2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile.
Chemical Property Profile of alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile
Property Insights of alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile
The XLogP value of 3.9 indicates that alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile 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 alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile?
The CAS number of alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile is 7254-21-9.
What is the molecular formula of alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile?
The molecular formula of alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile is C20H22N2.
What is the molecular weight of alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile?
The molecular weight of alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile is 290.18 g/mol.
Where can I buy alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile?
You can request a quote for alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.