4-(2,4,6-trimethoxyphenyl)piperidine

• ChemBase ID: 253434
• Molecular Formular: C14H21NO3
• Molecular Mass: 251.32144
• Monoisotopic Mass: 251.15214354
• SMILES: c1(c(cc(cc1OC)OC)OC)C1CCNCC1
• Canonical SMILES: COc1cc(OC)cc(c1C1CCNCC1)OC
• InChI: InChI=1S/C14H21NO3/c1-16-11-8-12(17-2)14(13(9-11)18-3)10-4-6-15-7-5-10/h8-10,15H,4-7H2,1-3H3
• InChIKey: YKDGXDUAFBOSNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08442495
• PubChem SID: 164309344
• PubChem CID: 16227817

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6131593
• LogD (pH = 7.4): -0.90287715
• Log P: 1.605297
• Molar Refractivity: 70.8686 cm^3
• Polarizability: 27.808477 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.543

Product Information

• Purity: 95%