1-Boc-4-[(2-methylphenyl)methyl]-4-piperidinecarboxylic acid

Base Information

• Chemical Name: 1-Boc-4-[(2-methylphenyl)methyl]-4-piperidinecarboxylic acid
• CAS No.: 177990-35-1
• Molecular Formula: C19H27NO4
• Molecular Weight: 333.4
• DSSTox Substance ID: DTXSID701140587
• Mol file: 177990-35-1.mol

Synonyms:177990-35-1;1-Boc-4-(2-methylbenzyl)-4-carboxypiperidine;1-BOC-4-[(2-METHYLPHENYL)METHYL]-4-PIPERIDINECARBOXYLIC ACID;4-[(2-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;SCHEMBL8762050;DTXSID701140587;AB91531;FT-0747810;4-(2-methylbenzyl) N-t-butoxycarbonyl isonipecotic acid;N-t-butoxycarbonyl-4-(2-methylbenzyl) isonipecotic acid;1-(1,1-Dimethylethyl) 4-[(2-methylphenyl)methyl]-1,4-piperidinedicarboxylate

Chemical Property of 1-Boc-4-[(2-methylphenyl)methyl]-4-piperidinecarboxylic acid

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 333.19400834
• Heavy Atom Count: 24
• Complexity: 461

Purity/Quality:

95+% ^*data from raw suppliers

1-Boc-4-(2-methylbenzyl)-4-carboxypiperidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)O