2-(5-ethyloxolan-2-yl)-4-methylpiperidine

• ChemBase ID: 285537
• Molecular Formular: C12H23NO
• Molecular Mass: 197.31712
• Monoisotopic Mass: 197.17796436
• SMILES: CCC1CCC(O1)C1CC(C)CCN1
• Canonical SMILES: CCC1CCC(O1)C1NCCC(C1)C
• InChI: InChI=1S/C12H23NO/c1-3-10-4-5-12(14-10)11-8-9(2)6-7-13-11/h9-13H,3-8H2,1-2H3
• InChIKey: GTLJHHFINAEDLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-ethyloxolan-2-yl)-4-methylpiperidine
• IUPAC Traditional name: 2-(5-ethyloxolan-2-yl)-4-methylpiperidine
• Synonyms: 2-(5-ethyltetrahydrofuran-2-yl)-4-methylpiperidine

Database IDs

• MDL Number: MFCD20731272
• PubChem SID: 180671068
• PubChem CID: 56828178

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.85158485
• LogD (pH = 7.4): -0.07615677
• Log P: 2.3619602
• Molar Refractivity: 58.2517 cm^3
• Polarizability: 23.599113 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.752

Product Information

• Purity: 95%