2-(2,5-dimethoxyphenyl)-2-(piperidin-1-yl)ethan-1-amine

• ChemBase ID: 50925
• Molecular Formular: C15H24N2O2
• Molecular Mass: 264.36326
• Monoisotopic Mass: 264.18377802
• SMILES: c1(C(N2CCCCC2)CN)c(ccc(c1)OC)OC
• Canonical SMILES: NCC(c1cc(OC)ccc1OC)N1CCCCC1
• InChI: InChI=1S/C15H24N2O2/c1-18-12-6-7-15(19-2)13(10-12)14(11-16)17-8-4-3-5-9-17/h6-7,10,14H,3-5,8-9,11,16H2,1-2H3
• InChIKey: LIKVLEXAUCFMPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethoxyphenyl)-2-(piperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,5-dimethoxyphenyl)-2-(piperidin-1-yl)ethanamine
• Synonyms: 2-(2,5-Dimethoxy-phenyl)-2-piperidin-1-yl-ethylamine

Database IDs

• MDL Number: MFCD09262148
• PubChem SID: 162055688
• PubChem CID: 16642881

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8084787
• LogD (pH = 7.4): 0.17219566
• Log P: 1.7124494
• Molar Refractivity: 77.2891 cm^3
• Polarizability: 30.577343 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false