4-(3,5-dimethoxyphenyl)piperidine

• ChemBase ID: 238555
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1(cc(cc(c1)OC)OC)C1CCNCC1
• Canonical SMILES: COc1cc(cc(c1)OC)C1CCNCC1
• InChI: InChI=1S/C13H19NO2/c1-15-12-7-11(8-13(9-12)16-2)10-3-5-14-6-4-10/h7-10,14H,3-6H2,1-2H3
• InChIKey: DVWVBNPXZPXCMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,5-dimethoxyphenyl)piperidine
• IUPAC Traditional name: 4-(3,5-dimethoxyphenyl)piperidine
• Synonyms: 4-(3,5-dimethoxyphenyl)piperidine

Database IDs

• MDL Number: MFCD18277133
• PubChem SID: 164294465
• PubChem CID: 49760739

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4576865
• LogD (pH = 7.4): -0.78037184
• Log P: 1.7629682
• Molar Refractivity: 64.4054 cm^3
• Polarizability: 25.290867 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.351

Product Information

• Purity: 95%