2-(1,3-dioxolan-2-yl)piperidine

• ChemBase ID: 267696
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1(OCCO1)C1NCCCC1
• Canonical SMILES: C1CCC(NC1)C1OCCO1
• InChI: InChI=1S/C8H15NO2/c1-2-4-9-7(3-1)8-10-5-6-11-8/h7-9H,1-6H2
• InChIKey: LXFXTYRJIBZVMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dioxolan-2-yl)piperidine
• IUPAC Traditional name: 2-(1,3-dioxolan-2-yl)piperidine
• Synonyms: 2-(1,3-dioxolan-2-yl)piperidine

Database IDs

• MDL Number: MFCD16547620
• PubChem SID: 164323606
• PubChem CID: 47003084

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -2.2755504
• LogD (pH = 7.4): -0.82862973
• Log P: 0.77765685
• Molar Refractivity: 41.3612 cm^3
• Polarizability: 16.927067 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.561

Product Information

• Purity: 95%