4-(2-methoxyethoxy)piperidine

• ChemBase ID: 276095
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1CCC(CC1)OCCOC
• Canonical SMILES: COCCOC1CCNCC1
• InChI: InChI=1S/C8H17NO2/c1-10-6-7-11-8-2-4-9-5-3-8/h8-9H,2-7H2,1H3
• InChIKey: KTXVOCUROHMWQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 70978-88-0
• MDL Number: MFCD08688041
• PubChem SID: 164332005
• PubChem CID: 14022384

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4986029
• LogD (pH = 7.4): -2.810196
• Log P: -0.2786679
• Molar Refractivity: 44.2124 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): -0.572

Product Information

• Purity: 95%