3-[(2-methoxyethoxy)methyl]piperidine

• ChemBase ID: 20645
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: N1CC(COCCOC)CCC1
• Canonical SMILES: COCCOCC1CCCNC1
• InChI: InChI=1S/C9H19NO2/c1-11-5-6-12-8-9-3-2-4-10-7-9/h9-10H,2-8H2,1H3
• InChIKey: QTRQPHPARKUFKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-methoxyethoxy)methyl]piperidine
• IUPAC Traditional name: 3-[(2-methoxyethoxy)methyl]piperidine
• Synonyms: 3-[(2-Methoxyethoxy)methyl]piperidine

Database IDs

• MDL Number: MFCD08688038
• PubChem SID: 160983952
• PubChem CID: 24691764

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0057425
• LogD (pH = 7.4): -2.4908018
• Log P: 0.2234896
• Molar Refractivity: 48.9316 cm^3
• Polarizability: 19.48863 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false