![Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine structure](/static/products/958/958812-41-4.png)
Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine
TL;DR: Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine (CAS 958812-41-4) is a chemical compound with molecular formula C14H28N2 and molecular weight 224.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(2-piperidin-1-ylethyl)azepane
Also Known As: 2-methyl-1-(2-piperidin-1-ylethyl)azepane, 2-Methyl-1-[2-(piperidin-1-yl)ethyl]azepane, Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine
| Molecular Formula | C14H28N2 |
|---|---|
| Molecular Weight | 224.23 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.22525 |
| Heavy Atoms | 16 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 958812-41-4 |
|---|---|
| SMILES | CC1CCCCCN1CCN2CCCCC2 |
| InChIKey | YZYCPFNFIWJCEO-UHFFFAOYSA-N |
Product Overview
Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine (CAS 958812-41-4), with molecular formula C14H28N2 and molecular weight 224.23 g/mol. IUPAC: 2-methyl-1-(2-piperidin-1-ylethyl)azepane.
Chemical Property Profile of Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine
Property Insights of Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine. With a topological polar surface area (TPSA) of 6.5 Ų, Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine has 0 hydrogen bond donor(s) and 2 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 Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine?
The CAS number of Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine is 958812-41-4.
What is the molecular formula of Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine?
The molecular formula of Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine is C14H28N2.
What is the molecular weight of Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine?
The molecular weight of Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine is 224.23 g/mol.
Where can I buy Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine?
You can request a quote for Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-2-methyl-1-[2-(1-piperidinyl)ethyl]-1H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.