4-(oxan-4-yl)piperidine

• ChemBase ID: 242667
• Molecular Formular: C10H19NO
• Molecular Mass: 169.26396
• Monoisotopic Mass: 169.14666423
• SMILES: N1CCC(C2CCOCC2)CC1
• Canonical SMILES: N1CCC(CC1)C1CCOCC1
• InChI: InChI=1S/C10H19NO/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h9-11H,1-8H2
• InChIKey: RALDDGVJYRQRSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06637449
• PubChem SID: 164298577
• PubChem CID: 17781710

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3779902
• LogD (pH = 7.4): -1.9211404
• Log P: 0.8535782
• Molar Refractivity: 50.0829 cm^3
• Polarizability: 19.910645 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52 - 54°C
• Hydrophobicity(logP): 1.086

Product Information

• Purity: 95%