4-(oxolan-3-yl)piperidine

• ChemBase ID: 247047
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: N1CCC(C2COCC2)CC1
• Canonical SMILES: N1CCC(CC1)C1COCC1
• InChI: InChI=1S/C9H17NO/c1-4-10-5-2-8(1)9-3-6-11-7-9/h8-10H,1-7H2
• InChIKey: OHRJLFFWUSVBAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxolan-3-yl)piperidine
• IUPAC Traditional name: 4-(oxolan-3-yl)piperidine
• Synonyms: 4-(oxolan-3-yl)piperidine

Database IDs

• MDL Number: MFCD11040367
• PubChem SID: 164302957
• PubChem CID: 63156344

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7446024
• LogD (pH = 7.4): -2.2876787
• Log P: 0.48696324
• Molar Refractivity: 45.4049 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.657

Product Information

• Purity: 95%