Methyl 4-amino-4-cyanopiperidine-1-carboxylate
TL;DR: Methyl 4-amino-4-cyanopiperidine-1-carboxylate (CAS 76508-54-8) is a chemical compound with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-4-cyanopiperidine-1-carboxylate
Also Known As: methyl 4-amino-4-cyanopiperidine-1-carboxylate, METHYL 4-AMINO-4-CYANO-PIPERIDINE-1-CARBOXYLATE
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 76508-54-8 |
|---|---|
| SMILES | COC(=O)N1CCC(CC1)(C#N)N |
| InChIKey | HPKHHILQKFHCRY-UHFFFAOYSA-N |
Product Overview
Methyl 4-amino-4-cyanopiperidine-1-carboxylate (CAS 76508-54-8), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: methyl 4-amino-4-cyanopiperidine-1-carboxylate.
Chemical Property Profile of Methyl 4-amino-4-cyanopiperidine-1-carboxylate
Property Insights of Methyl 4-amino-4-cyanopiperidine-1-carboxylate
The XLogP value of -0.7 indicates that Methyl 4-amino-4-cyanopiperidine-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-amino-4-cyanopiperidine-1-carboxylate. Following Lipinski's Rule of Five, Methyl 4-amino-4-cyanopiperidine-1-carboxylate has 1 hydrogen bond donor(s) and 4 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 Methyl 4-amino-4-cyanopiperidine-1-carboxylate?
The CAS number of Methyl 4-amino-4-cyanopiperidine-1-carboxylate is 76508-54-8.
What is the molecular formula of Methyl 4-amino-4-cyanopiperidine-1-carboxylate?
The molecular formula of Methyl 4-amino-4-cyanopiperidine-1-carboxylate is C8H13N3O2.
What is the molecular weight of Methyl 4-amino-4-cyanopiperidine-1-carboxylate?
The molecular weight of Methyl 4-amino-4-cyanopiperidine-1-carboxylate is 183.10 g/mol.
Where can I buy Methyl 4-amino-4-cyanopiperidine-1-carboxylate?
You can request a quote for Methyl 4-amino-4-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 Methyl 4-amino-4-cyanopiperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-4-cyanopiperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.