1-[2-(3-methoxyphenoxy)ethyl]piperazine

• ChemBase ID: 239711
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: N1(CCOc2cc(OC)ccc2)CCNCC1
• Canonical SMILES: COc1cccc(c1)OCCN1CCNCC1
• InChI: InChI=1S/C13H20N2O2/c1-16-12-3-2-4-13(11-12)17-10-9-15-7-5-14-6-8-15/h2-4,11,14H,5-10H2,1H3
• InChIKey: RKKDHOAVZQZXCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-methoxyphenoxy)ethyl]piperazine
• IUPAC Traditional name: 1-[2-(3-methoxyphenoxy)ethyl]piperazine
• Synonyms: 1-[2-(3-methoxyphenoxy)ethyl]piperazine

Database IDs

• CAS Number: 148315-69-9
• MDL Number: MFCD03231418
• PubChem SID: 164295621
• PubChem CID: 762721

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0211685
• LogD (pH = 7.4): -0.6938214
• Log P: 1.1406194
• Molar Refractivity: 67.7589 cm^3
• Polarizability: 26.896275 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.864

Product Information

• Purity: 95%