4-(oxan-4-yloxy)piperidine

• ChemBase ID: 278112
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: N1CCC(OC2CCOCC2)CC1
• Canonical SMILES: N1CCC(CC1)OC1CCOCC1
• InChI: InChI=1S/C10H19NO2/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10/h9-11H,1-8H2
• InChIKey: HZUSVGKWIHLFQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14614982
• PubChem SID: 164334022
• PubChem CID: 53534849

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4904401
• LogD (pH = 7.4): -2.8020184
• Log P: -0.2705063
• Molar Refractivity: 51.6444 cm^3
• Polarizability: 20.602833 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.944

Product Information

• Purity: 95%