4-(oxolan-3-yloxy)piperidine

• ChemBase ID: 286460
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: N1CCC(OC2CCOC2)CC1
• Canonical SMILES: N1CCC(CC1)OC1COCC1
• InChI: InChI=1S/C9H17NO2/c1-4-10-5-2-8(1)12-9-3-6-11-7-9/h8-10H,1-7H2
• InChIKey: XPPIANJSURIDNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18364840
• PubChem SID: 180671991
• PubChem CID: 63558245

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5503998
• LogD (pH = 7.4): -2.861977
• Log P: -0.33046603
• Molar Refractivity: 46.779 cm^3
• Polarizability: 18.76417 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.552

Product Information

• Purity: 95%