1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile
TL;DR: 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile (CAS 33719-75-4) is a chemical compound with molecular formula C10H18N2O and molecular weight 182.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-hydroxypiperidine-4-carbonitrile
Also Known As: 1-tert-butyl-4-hydroxypiperidine-4-carbonitrile, 1-(tert-butyl)-4-hydroxypiperidine-4-carbonitrile, 4-hydroxy-1-tert-butyl-piperidine-4-carbonitrile
| Molecular Formula | C10H18N2O |
|---|---|
| Molecular Weight | 182.14 g/mol |
| LogP | 1.13538 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.1419 |
| Heavy Atoms | 13 |
| Complexity | 216.0597 |
Chemical Identifiers
| CAS Number | 33719-75-4 |
|---|---|
| SMILES | CC(C)(C)N1CCC(CC1)(C#N)O |
Product Overview
1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile (CAS 33719-75-4), with molecular formula C10H18N2O and molecular weight 182.14 g/mol. IUPAC: 1-tert-butyl-4-hydroxypiperidine-4-carbonitrile.
Chemical Property Profile of 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile
Property Insights of 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile
The XLogP value of 1.13538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile. With a topological polar surface area (TPSA) of 47.26 Ų, 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-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-Tert-butyl-4-hydroxypiperidine-4-carbonitrile?
The CAS number of 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile is 33719-75-4.
What is the molecular formula of 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile?
The molecular formula of 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile is C10H18N2O.
What is the molecular weight of 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile?
The molecular weight of 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile is 182.14 g/mol.
Where can I buy 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile?
You can request a quote for 1-Tert-butyl-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-Tert-butyl-4-hydroxypiperidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.