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

• ChemBase ID: 268031
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1(C2CNCCC2)OCCO1
• Canonical SMILES: C1CCC(CN1)C1OCCO1
• InChI: InChI=1S/C8H15NO2/c1-2-7(6-9-3-1)8-10-4-5-11-8/h7-9H,1-6H2
• InChIKey: QAFXKOPNBQVMIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16547708
• PubChem SID: 164323941
• PubChem CID: 47003201

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7386324
• LogD (pH = 7.4): -2.0771217
• Log P: 0.4830144
• Molar Refractivity: 41.4934 cm^3
• Polarizability: 16.927067 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.033

Product Information

• Purity: 95%