4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine

• ChemBase ID: 252711
• Molecular Formular: C15H23NO2
• Molecular Mass: 249.34862
• Monoisotopic Mass: 249.17287898
• SMILES: N1CCC(CCc2cc(cc(c2)OC)OC)CC1
• Canonical SMILES: COc1cc(CCC2CCNCC2)cc(c1)OC
• InChI: InChI=1S/C15H23NO2/c1-17-14-9-13(10-15(11-14)18-2)4-3-12-5-7-16-8-6-12/h9-12,16H,3-8H2,1-2H3
• InChIKey: DYXVLIVBXMBLDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine
• IUPAC Traditional name: 4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine
• Synonyms: 4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine

Database IDs

• MDL Number: MFCD08444504
• PubChem SID: 164308621
• PubChem CID: 16227395

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5794826
• LogD (pH = 7.4): -0.123157
• Log P: 2.6521056
• Molar Refractivity: 73.6074 cm^3
• Polarizability: 28.979626 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.409

Product Information

• Purity: 95%