4-methyl-2-(5-methyloxolan-2-yl)piperidine

• ChemBase ID: 285536
• Molecular Formular: C11H21NO
• Molecular Mass: 183.29054
• Monoisotopic Mass: 183.1623143
• SMILES: CC1CCC(O1)C1CC(C)CCN1
• Canonical SMILES: CC1CCNC(C1)C1CCC(O1)C
• InChI: InChI=1S/C11H21NO/c1-8-5-6-12-10(7-8)11-4-3-9(2)13-11/h8-12H,3-7H2,1-2H3
• InChIKey: CKEHXIUOLOMRFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(5-methyloxolan-2-yl)piperidine
• IUPAC Traditional name: 4-methyl-2-(5-methyloxolan-2-yl)piperidine
• Synonyms: 4-methyl-2-(5-methyltetrahydrofuran-2-yl)piperidine

Database IDs

• MDL Number: MFCD20731271
• PubChem SID: 180671067
• PubChem CID: 56828177

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3741078
• LogD (pH = 7.4): -0.59868765
• Log P: 1.8394378
• Molar Refractivity: 53.7277 cm^3
• Polarizability: 21.75466 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.223

Product Information

• Purity: 95%