1,4-dimethylpiperidine-4-carboxylic acid

• ChemBase ID: 307523
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1(C(=O)O)(CCN(CC1)C)C
• Canonical SMILES: CN1CCC(CC1)(C)C(=O)O
• InChI: InChI=1S/C8H15NO2/c1-8(7(10)11)3-5-9(2)6-4-8/h3-6H2,1-2H3,(H,10,11)
• InChIKey: QBYSPFYUVWFCBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethylpiperidine-4-carboxylic acid
• IUPAC Traditional name: 1,4-dimethylpiperidine-4-carboxylic acid
• Synonyms: 1,4-dimethylpiperidine-4-carboxylic acid

Database IDs

• CAS Number: 162648-33-1
• MDL Number: MFCD07787270

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9296236
• LogD (pH = 7.4): -1.9123352
• Log P: -1.9109757
• Molar Refractivity: 42.871 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 40.54 Å^2