4-(3,4-dimethylphenoxy)piperidine

• ChemBase ID: 265059
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: c1(cc(OC2CCNCC2)ccc1C)C
• Canonical SMILES: Cc1ccc(cc1C)OC1CCNCC1
• InChI: InChI=1S/C13H19NO/c1-10-3-4-13(9-11(10)2)15-12-5-7-14-8-6-12/h3-4,9,12,14H,5-8H2,1-2H3
• InChIKey: LHFODAAPLVSGBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4-dimethylphenoxy)piperidine
• IUPAC Traditional name: 4-(3,4-dimethylphenoxy)piperidine
• Synonyms: 4-(3,4-dimethylphenoxy)piperidine

Database IDs

• MDL Number: MFCD06247255
• PubChem SID: 164320969
• PubChem CID: 20735335

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7212232
• LogD (pH = 7.4): 0.1230954
• Log P: 2.4861755
• Molar Refractivity: 62.76 cm^3
• Polarizability: 24.55714 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.621

Product Information

• Purity: 95%