1-[4-(methoxymethoxy)phenyl]piperazine

• ChemBase ID: 173014
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: N1CCN(CC1)c1ccc(cc1)OCOC
• Canonical SMILES: COCOc1ccc(cc1)N1CCNCC1
• InChI: InChI=1S/C12H18N2O2/c1-15-10-16-12-4-2-11(3-5-12)14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
• InChIKey: ZRWKBRULROYORK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(methoxymethoxy)phenyl]piperazine
• IUPAC Traditional name: 1-[4-(methoxymethoxy)phenyl]piperazine
• Synonyms: 1-[4-(Methoxymethoxy)phenyl]piperazine

Database IDs

• PubChem SID: 164228924
• PubChem CID: 65364703

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5614699
• LogD (pH = 7.4): -0.05322836
• Log P: 1.4508154
• Molar Refractivity: 63.5582 cm^3
• Polarizability: 24.678862 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane,
• Apperance: Yellow Semi-Solid

DETAILS

Toronto Research Chemicals - M264330

Intermediate in the production of Posaconazole.