![2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone structure](/static/products/1005/1005103-64-9.webp)
2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone
TL;DR: 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone (CAS 1005103-64-9) is a chemical compound with molecular formula C26H41N3O2 and molecular weight 427.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-piperidin-1-ylethanone
Also Known As: 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone, 2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-(piperidin-1-yl)ethanone, 2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-piperidin-1-ylethanone, REGID_for_CID_664185
| Molecular Formula | C26H41N3O2 |
|---|---|
| Molecular Weight | 427.32 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.3199 |
| Heavy Atoms | 31 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 1005103-64-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C3CCCCC3(CCN2CC(=O)N4CCCCC4)O |
| InChIKey | QMTLNFNTCKJVJE-UHFFFAOYSA-N |
Product Overview
2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone (CAS 1005103-64-9), with molecular formula C26H41N3O2 and molecular weight 427.32 g/mol. IUPAC: 2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-piperidin-1-ylethanone.
Chemical Property Profile of 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone
Property Insights of 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone
The XLogP value of 4.0 indicates that 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.0 Ų, 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone 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 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone?
The CAS number of 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone is 1005103-64-9.
What is the molecular formula of 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone?
The molecular formula of 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone is C26H41N3O2.
What is the molecular weight of 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone?
The molecular weight of 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone is 427.32 g/mol.
Where can I buy 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone?
You can request a quote for 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-1-(piperidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.