1-(2-methoxyethyl)piperidine-4-carboxylic acid

• ChemBase ID: 307670
• Molecular Formular: C9H17NO3
• Molecular Mass: 187.23618
• Monoisotopic Mass: 187.12084341
• SMILES: C(=O)(C1CCN(CC1)CCOC)O
• Canonical SMILES: COCCN1CCC(CC1)C(=O)O
• InChI: InChI=1S/C9H17NO3/c1-13-7-6-10-4-2-8(3-5-10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
• InChIKey: IJRGJHKHDNEQRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)piperidine-4-carboxylic acid
• IUPAC Traditional name: 1-(2-methoxyethyl)piperidine-4-carboxylic acid
• Synonyms: 1-(2-methoxyethyl)-4-piperidinecarboxylic acid

Database IDs

• CAS Number: 773829-96-2
• MDL Number: MFCD09696865

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.5264955
• LogD (pH = 7.4): -2.516934
• Log P: -2.5139558
• Molar Refractivity: 49.4135 cm^3
• Polarizability: 19.342733 Å^3
• Polar Surface Area: 49.77 Å^2