4-(oxan-2-ylmethoxy)piperidine

• ChemBase ID: 235420
• Molecular Formular: C11H21NO2
• Molecular Mass: 199.28994
• Monoisotopic Mass: 199.15722892
• SMILES: N1CCC(OCC2OCCCC2)CC1
• Canonical SMILES: N1CCC(CC1)OCC1CCCCO1
• InChI: InChI=1S/C11H21NO2/c1-2-8-13-11(3-1)9-14-10-4-6-12-7-5-10/h10-12H,1-9H2
• InChIKey: YHARXZQFMJHMJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxan-2-ylmethoxy)piperidine
• IUPAC Traditional name: 4-(oxan-2-ylmethoxy)piperidine
• Synonyms: 4-(oxan-2-ylmethoxy)piperidine

Database IDs

• MDL Number: MFCD09951377
• PubChem SID: 164291330
• PubChem CID: 24711490

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5884695
• LogD (pH = 7.4): -1.9000626
• Log P: 0.6314653
• Molar Refractivity: 56.0246 cm^3
• Polarizability: 22.442715 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.496

Product Information

• Purity: 95%