4-(2,6-dimethoxyphenoxy)piperidine

• ChemBase ID: 265065
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: c1(OC2CCNCC2)c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1OC1CCNCC1)OC
• InChI: InChI=1S/C13H19NO3/c1-15-11-4-3-5-12(16-2)13(11)17-10-6-8-14-9-7-10/h3-5,10,14H,6-9H2,1-2H3
• InChIKey: JNPFLVYOLSSBES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,6-dimethoxyphenoxy)piperidine
• IUPAC Traditional name: 4-(2,6-dimethoxyphenoxy)piperidine
• Synonyms: 4-(2,6-dimethoxyphenoxy)piperidine

Database IDs

• MDL Number: MFCD09930680
• PubChem SID: 164320975
• PubChem CID: 24692354

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0634084
• LogD (pH = 7.4): -1.2190875
• Log P: 1.1439902
• Molar Refractivity: 65.604 cm^3
• Polarizability: 26.048056 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.054

Product Information

• Purity: 95%