2-(4-Boc-piperazinyl)-2-(4-fluorophenyl)acetic acid

Base Information

• Chemical Name: 2-(4-Boc-piperazinyl)-2-(4-fluorophenyl)acetic acid
• CAS No.: 868151-70-6
• Molecular Formula: C17H23 F N2 O4
• Molecular Weight: 374.8348632
• DSSTox Substance ID: DTXSID20376097
• Mol file: 868151-70-6.mol

Synonyms:868151-70-6;2-(4-Boc-piperazinyl)-2-(4-fluorophenyl)acetic acid;2-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic Acid;2-(4-[(tert-Butyl)oxycarbonyl]piperazinyl)-2-(4-fluorophenyl)acetic acid;2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(4-fluorophenyl)acetic acid;2-{4-[(TERT-BUTYL)OXYCARBONYL]PIPERAZINYL-2-(4-FLUOROPHENYL)ACETIC ACID;2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(4-fluorophenyl)aceticacid;2-{4-[(TERT-BUTYL)OXYCARBONYL]PIPERAZINYL}-2-(4-FLUOROPHENYL)ACETIC ACID;2-(4-Boc-piperazino)-2-(4-fluorophenyl)acetic acid;SCHEMBL5183732;DTXSID20376097;AR3776;MFCD01862498;AKOS005362664;AS-45687;CS-0171789;a-(4-Fluorophenyl)-4-Boc-1-piperazineacetic acid;2-(4-Boc-piperazinyl)-2-(4-fluoro-phenyl)-acetic acid;2-(4-Boc-piperazino)-2-(4-fluorophenyl)acetic acid, purum, >=97.0% (HPLC)

Chemical Property of 2-(4-Boc-piperazinyl)-2-(4-fluorophenyl)acetic acid

Chemical Property:

• Boiling Point: 437.6±45.0 °C(Predicted)
• PKA: 1.87±0.10(Predicted)
• PSA: 70.08000
• Density: 1.252±0.06 g/cm3(Predicted)
• LogP: 2.37990
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 338.16418538
• Heavy Atom Count: 24
• Complexity: 450

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Boc-piperazino)-2-(4-fluorophenyl)acetic acid purum, ≥97.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)F)C(=O)O