Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate
TL;DR: Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate (CAS 732275-75-1) is a chemical compound with molecular formula C17H21ClN2O2 and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate
Also Known As: tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate, J2.076.935A, 2-(1-TERT-BUTOXYCARBONYLPIPERIDIN-4-YL)-5-CHLOROBENZONITRILE, 2-[1-(tert-Butoxycarbonyl)-4-piperidinyl]-5-chlorobenzonitrile, Tert-butyl 4-(4-chloro-2-cyano-phenyl)piperidine-1-carboxylate
| Molecular Formula | C17H21ClN2O2 |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 4.32618 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.12915 |
| Heavy Atoms | 22 |
| Complexity | 593.657 |
Chemical Identifiers
| CAS Number | 732275-75-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=C(C=C2)Cl)C#N |
Product Overview
Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate (CAS 732275-75-1), with molecular formula C17H21ClN2O2 and molecular weight 320.13 g/mol. IUPAC: tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate
Property Insights of Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate
The XLogP value of 4.32618 indicates that Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.33 Ų, Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-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 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate?
The CAS number of Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate is 732275-75-1.
What is the molecular formula of Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate?
The molecular formula of Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate is C17H21ClN2O2.
What is the molecular weight of Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate?
The molecular weight of Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate is 320.13 g/mol.
Where can I buy Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate?
You can request a quote for Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-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 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-(4-chloro-2-cyanophenyl)piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.