Tert-butyl 2-cyanopiperidine-1-carboxylate
TL;DR: Tert-butyl 2-cyanopiperidine-1-carboxylate (CAS 228244-04-0) is a chemical compound with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-cyanopiperidine-1-carboxylate
Also Known As: N-Boc-2-Cyanopiperidine, tert-Butyl 2-cyanopiperidine-1-carboxylate, 1-Boc-2-cyanopiperidine, null, 1-N-Boc-2-Cyanopiperidine
| Molecular Formula | C11H18N2O2 |
|---|---|
| Molecular Weight | 210.14 g/mol |
| LogP | 2.29958 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.13683 |
| Heavy Atoms | 15 |
| Complexity | 275.29297 |
Chemical Identifiers
| CAS Number | 228244-04-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCCC1C#N |
Product Overview
Tert-butyl 2-cyanopiperidine-1-carboxylate (CAS 228244-04-0), with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol. IUPAC: tert-butyl 2-cyanopiperidine-1-carboxylate.
Chemical Property Profile of Tert-butyl 2-cyanopiperidine-1-carboxylate
Property Insights of Tert-butyl 2-cyanopiperidine-1-carboxylate
The XLogP value of 2.29958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-cyanopiperidine-1-carboxylate. With a topological polar surface area (TPSA) of 53.33 Ų, Tert-butyl 2-cyanopiperidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-cyanopiperidine-1-carboxylate has 0 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 Tert-butyl 2-cyanopiperidine-1-carboxylate?
The CAS number of Tert-butyl 2-cyanopiperidine-1-carboxylate is 228244-04-0.
What is the molecular formula of Tert-butyl 2-cyanopiperidine-1-carboxylate?
The molecular formula of Tert-butyl 2-cyanopiperidine-1-carboxylate is C11H18N2O2.
What is the molecular weight of Tert-butyl 2-cyanopiperidine-1-carboxylate?
The molecular weight of Tert-butyl 2-cyanopiperidine-1-carboxylate is 210.14 g/mol.
Where can I buy Tert-butyl 2-cyanopiperidine-1-carboxylate?
You can request a quote for Tert-butyl 2-cyanopiperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-cyanopiperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-cyanopiperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.