1-[2-Methyl-4-(methylsulphonyl)phenyl]piperidine-3-carboxylic acid

Base Information

• Chemical Name: 1-[2-Methyl-4-(methylsulphonyl)phenyl]piperidine-3-carboxylic acid
• CAS No.: 942474-82-0
• Molecular Formula: C14H19NO4S
• Molecular Weight: 297.37
• DSSTox Substance ID: DTXSID801169677
• Mol file: 942474-82-0.mol

Synonyms:942474-82-0;1-[2-methyl-4-(methylsulphonyl)phenyl]piperidine-3-carboxylic acid;1-[(2-Methyl-4-methylsulfonyl)phenyl]piperidine-3-carboxylic acid;1-(2-Methyl-4-(methylsulfonyl)phenyl)piperidine-3-carboxylic acid;1-(2-methyl-4-methylsulfonylphenyl)piperidine-3-carboxylic acid;DTXSID801169677;1-(4-methanesulfonyl-2-methylphenyl)piperidine-3-carboxylic acid;1-(2-Methyl-4-(methylsulfonyl)phenyl)piperidine-3-carboxylicacid;1-[2-Methyl-4-(methylsulfonyl)phenyl]-3-piperidinecarboxylic acid

Chemical Property of 1-[2-Methyl-4-(methylsulphonyl)phenyl]piperidine-3-carboxylic acid

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 297.10347926
• Heavy Atom Count: 20
• Complexity: 456

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)S(=O)(=O)C)N2CCCC(C2)C(=O)O