4-(2-ethoxyethoxy)piperidine

• ChemBase ID: 258866
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: N1CCC(CC1)OCCOCC
• Canonical SMILES: CCOCCOC1CCNCC1
• InChI: InChI=1S/C9H19NO2/c1-2-11-7-8-12-9-3-5-10-6-4-9/h9-10H,2-8H2,1H3
• InChIKey: YUAFBJXCTHYOSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 70978-93-7
• MDL Number: MFCD08687707
• PubChem SID: 164314776
• PubChem CID: 14022385

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.141795
• LogD (pH = 7.4): -2.453388
• Log P: 0.07814007
• Molar Refractivity: 48.961 cm^3
• Polarizability: 19.48863 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.017

Product Information

• Purity: 95%