4-ethylpiperidine-4-carboxylic acid

• ChemBase ID: 308358
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(C1(CC)CCNCC1)O
• Canonical SMILES: CCC1(CCNCC1)C(=O)O
• InChI: InChI=1S/C8H15NO2/c1-2-8(7(10)11)3-5-9-6-4-8/h9H,2-6H2,1H3,(H,10,11)
• InChIKey: KXKKAGIATNDDON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpiperidine-4-carboxylic acid
• IUPAC Traditional name: 4-ethylpiperidine-4-carboxylic acid
• Synonyms: 4-ethyl-4-piperidinecarboxylic acid

Database IDs

• CAS Number: 1227465-48-6
• MDL Number: MFCD16556109

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6203324
• LogD (pH = 7.4): -1.5912971
• Log P: -1.5916556
• Molar Refractivity: 42.1773 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 49.33 Å^2