1-Benzyl-4-hydroxypiperidine-4-carbonitrile
TL;DR: 1-Benzyl-4-hydroxypiperidine-4-carbonitrile (CAS 6094-60-6) 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.
1-benzyl-4-hydroxypiperidine-4-carbonitrile
Also Known As: 1-Benzyl-4-hydroxypiperidine-4-carbonitrile, 1-Benzyl-4-cyano-4-hydroxypiperidine, Maybridge1_006722, 1-benzyl-4-hydroxy-piperidine-4-carbonitrile, 3,5-DIBROMO-2-FLUOROPYRIDINE
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 6094-60-6 |
|---|---|
| SMILES | C1CN(CCC1(C#N)O)CC2=CC=CC=C2 |
| InChIKey | XQRLXUYZKZXSBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-4-hydroxypiperidine-4-carbonitrile (CAS 6094-60-6), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 1-benzyl-4-hydroxypiperidine-4-carbonitrile.
Chemical Property Profile of 1-Benzyl-4-hydroxypiperidine-4-carbonitrile
Property Insights of 1-Benzyl-4-hydroxypiperidine-4-carbonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-hydroxypiperidine-4-carbonitrile. With a topological polar surface area (TPSA) of 47.3 Ų, 1-Benzyl-4-hydroxypiperidine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-hydroxypiperidine-4-carbonitrile 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 1-Benzyl-4-hydroxypiperidine-4-carbonitrile?
The CAS number of 1-Benzyl-4-hydroxypiperidine-4-carbonitrile is 6094-60-6.
What is the molecular formula of 1-Benzyl-4-hydroxypiperidine-4-carbonitrile?
The molecular formula of 1-Benzyl-4-hydroxypiperidine-4-carbonitrile is C13H16N2O.
What is the molecular weight of 1-Benzyl-4-hydroxypiperidine-4-carbonitrile?
The molecular weight of 1-Benzyl-4-hydroxypiperidine-4-carbonitrile is 216.13 g/mol.
Where can I buy 1-Benzyl-4-hydroxypiperidine-4-carbonitrile?
You can request a quote for 1-Benzyl-4-hydroxypiperidine-4-carbonitrile 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-hydroxypiperidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-hydroxypiperidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.