(3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile
TL;DR: (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile (CAS 620564-67-2) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxyphenyl)-2-piperidin-1-ylacetonitrile
Also Known As: (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile, 2-(3-hydroxyphenyl)-2-(1-piperidyl)acetonitrile, 2-(3-hydroxyphenyl)-2-piperidin-1-ylacetonitrile, 1-piperidineacetonitrile, alpha-(3-hydroxyphenyl)-
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.44278 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 391.1642 |
Chemical Identifiers
| CAS Number | 620564-67-2 |
|---|---|
| SMILES | C1CCN(CC1)C(C#N)C2=CC(=CC=C2)O |
Product Overview
(3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile (CAS 620564-67-2), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 2-(3-hydroxyphenyl)-2-piperidin-1-ylacetonitrile.
Chemical Property Profile of (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile
Property Insights of (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile
The XLogP value of 2.44278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile. With a topological polar surface area (TPSA) of 47.26 Ų, (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile has 1 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 (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile?
The CAS number of (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile is 620564-67-2.
What is the molecular formula of (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile?
The molecular formula of (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile is C13H16N2O.
What is the molecular weight of (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile?
The molecular weight of (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile is 216.13 g/mol.
Where can I buy (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile?
You can request a quote for (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3-Hydroxyphenyl)(piperidin-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.