2-(2,4-dimethoxyphenyl)piperidine

• ChemBase ID: 19389
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1(c(cc(cc1)OC)OC)C1NCCCC1
• Canonical SMILES: COc1cc(OC)ccc1C1CCCCN1
• InChI: InChI=1S/C13H19NO2/c1-15-10-6-7-11(13(9-10)16-2)12-5-3-4-8-14-12/h6-7,9,12,14H,3-5,8H2,1-2H3
• InChIKey: UPLHYQRIQVCOJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dimethoxyphenyl)piperidine
• IUPAC Traditional name: 2-(2,4-dimethoxyphenyl)piperidine
• Synonyms: 2-(2,4-Dimethoxyphenyl)piperidine

Database IDs

• MDL Number: MFCD02663551
• PubChem SID: 160982696
• PubChem CID: 3556724

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9368712
• LogD (pH = 7.4): 0.49232206
• Log P: 2.1263852
• Molar Refractivity: 64.0446 cm^3
• Polarizability: 25.365662 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false