4-(2,6-dimethylphenoxy)piperidine

• ChemBase ID: 265060
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: c1(OC2CCNCC2)c(cccc1C)C
• Canonical SMILES: Cc1cccc(c1OC1CCNCC1)C
• InChI: InChI=1S/C13H19NO/c1-10-4-3-5-11(2)13(10)15-12-6-8-14-9-7-12/h3-5,12,14H,6-9H2,1-2H3
• InChIKey: GIMDUKQMEPRHGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09944168
• PubChem SID: 164320970
• PubChem CID: 24704823

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7212232
• LogD (pH = 7.4): 0.123095654
• Log P: 2.4861755
• Molar Refractivity: 62.76 cm^3
• Polarizability: 24.559624 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.671

Product Information

• Purity: 95%