3-(2-methoxyethoxy)piperidine

• ChemBase ID: 264613
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1CC(OCCOC)CCC1
• Canonical SMILES: COCCOC1CCCNC1
• InChI: InChI=1S/C8H17NO2/c1-10-5-6-11-8-3-2-4-9-7-8/h8-9H,2-7H2,1H3
• InChIKey: WHQOIXYNVRFCJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethoxy)piperidine
• IUPAC Traditional name: 3-(2-methoxyethoxy)piperidine
• Synonyms: 3-(2-methoxyethoxy)piperidine

Database IDs

• MDL Number: MFCD08688040
• PubChem SID: 164320523
• PubChem CID: 43196822

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0116992
• LogD (pH = 7.4): -2.023392
• Log P: 0.17873505
• Molar Refractivity: 43.9916 cm^3
• Polarizability: 17.64941 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.254

Product Information

• Purity: 95%