4-(2-methoxyethyl)piperidine

• ChemBase ID: 307636
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1CCC(CCOC)CC1
• Canonical SMILES: COCCC1CCNCC1
• InChI: InChI=1S/C8H17NO/c1-10-7-4-8-2-5-9-6-3-8/h8-9H,2-7H2,1H3
• InChIKey: ZPGQYQKSLRERDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyethyl)piperidine
• IUPAC Traditional name: 4-(2-methoxyethyl)piperidine
• Synonyms: 4-(2-methoxyethyl)piperidine

Database IDs

• CAS Number: 70724-70-8
• MDL Number: MFCD07779469

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6360624
• LogD (pH = 7.4): -2.1796725
• Log P: 0.5955233
• Molar Refractivity: 42.6649 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2