3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile
TL;DR: 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile (CAS 64399-76-4) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile
Also Known As: 3-hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile, 1-PIPERIDINEACETONITRILE,A-(HYDROXYPHENYLMETHYL)-, 3-HYDROXY-3-PHENYL-2-(PIPERIDIN-1-YL)PROPANENITRILE
| Molecular Formula | C14H18N2O |
|---|---|
| Molecular Weight | 230.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.1419 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 64399-76-4 |
|---|---|
| SMILES | C1CCN(CC1)C(C#N)C(C2=CC=CC=C2)O |
| InChIKey | VVOLPFYPCCYZQQ-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile (CAS 64399-76-4), with molecular formula C14H18N2O and molecular weight 230.14 g/mol. IUPAC: 3-hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile.
Chemical Property Profile of 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile
Property Insights of 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile. With a topological polar surface area (TPSA) of 47.3 Ų, 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile 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-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile?
The CAS number of 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile is 64399-76-4.
What is the molecular formula of 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile?
The molecular formula of 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile is C14H18N2O.
What is the molecular weight of 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile?
The molecular weight of 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile is 230.14 g/mol.
Where can I buy 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile?
You can request a quote for 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3-phenyl-2-piperidin-1-ylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.