1-(2-(4-Cinnamyl-1-piperazinyl)-2-oxoethyl)-4-(4-fluorophenyl)-4-piperidinol

Base Information

• Chemical Name: 1-(2-(4-Cinnamyl-1-piperazinyl)-2-oxoethyl)-4-(4-fluorophenyl)-4-piperidinol
• CAS No.: 82387-49-3
• Molecular Formula: C₂₆H₃₂FN₃O₂
• Molecular Weight: 437.557
• NSC Number: 370150
• UNII: 8KB63HL4EW
• Mol file: 82387-49-3.mol

Synonyms:NSC370150;NSC 370150;1-(2-(4-Cinnamyl-1-piperazinyl)-2-oxoethyl)-4-(4-fluorophenyl)-4-piperidinol;93551-75-8;NSC-370150;8KB63HL4EW;1-[4-[(E)-cinnamyl]piperazin-1-yl]-2-[4-(4-fluorophenyl)-4-hydroxy-1-piperidyl]ethanone;2-[4-(4-Fluorophenyl)-4-hydroxy-1-piperidinyl]-1-[4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]ethanone;2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethan-1-one;Ethanone, 2-[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]-1-[4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]-;Piperazine, 1-[[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]acetyl]-4-(3-phenyl-2-propenyl)-, (E)-

Chemical Property of 1-(2-(4-Cinnamyl-1-piperazinyl)-2-oxoethyl)-4-(4-fluorophenyl)-4-piperidinol

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 437.24785543
• Heavy Atom Count: 32
• Complexity: 613

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCC1(C2=CC=C(C=C2)F)O)CC(=O)N3CCN(CC3)CC=CC4=CC=CC=C4
• Isomeric SMILES: C1CN(CCC1(C2=CC=C(C=C2)F)O)CC(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

Technology Process of 1-(2-(4-Cinnamyl-1-piperazinyl)-2-oxoethyl)-4-(4-fluorophenyl)-4-piperidinol

There total 4 articles about 1-(2-(4-Cinnamyl-1-piperazinyl)-2-oxoethyl)-4-(4-fluorophenyl)-4-piperidinol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

4-(4-fluorophenyl)piperidin-4-ol (3888-65-1) + 1-(Chloroacetyl)-4-cinnamylpiperazine (82387-53-9) → 1-Cinnamyl-4-<4-(4-fluorophenyl)-4-hydroxypiperidino>acetylpiperazine (82387-49-3,93551-75-8)

Guidance literature:

In chloroform; for 4h; Heating;

DOI:10.1135/cccc19820636

Reference yield:

1-(Ethoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-ol (82387-58-4) → 1-Cinnamyl-4-<4-(4-fluorophenyl)-4-hydroxypiperidino>acetylpiperazine (82387-49-3,93551-75-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / KOH / ethanol / 2 h / Heating

2: 75 percent / CHCl₃ / 4 h / Heating

With potassium hydroxide; In ethanol; chloroform;

DOI:10.1135/cccc19820636

Reference yield:

4-flourophenylmagnesium bromide (352-13-6) → 1-Cinnamyl-4-<4-(4-fluorophenyl)-4-hydroxypiperidino>acetylpiperazine (82387-49-3,93551-75-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / diethyl ether

2: 87 percent / KOH / ethanol / 2 h / Heating

3: 75 percent / CHCl₃ / 4 h / Heating

With potassium hydroxide; In diethyl ether; ethanol; chloroform;

DOI:10.1135/cccc19820636

upstream raw materials:

4-(4-fluorophenyl)piperidin-4-ol

1-(Chloroacetyl)-4-cinnamylpiperazine

1-(Ethoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-ol

4-flourophenylmagnesium bromide