dimethyl({2-[2-(piperazin-1-yl)phenoxy]ethyl})amine

• ChemBase ID: 277533
• Molecular Formular: C14H23N3O
• Molecular Mass: 249.35192
• Monoisotopic Mass: 249.18411237
• SMILES: N1(c2c(OCCN(C)C)cccc2)CCNCC1
• Canonical SMILES: CN(CCOc1ccccc1N1CCNCC1)C
• InChI: InChI=1S/C14H23N3O/c1-16(2)11-12-18-14-6-4-3-5-13(14)17-9-7-15-8-10-17/h3-6,15H,7-12H2,1-2H3
• InChIKey: MZUBUHQECMSCCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-[2-(piperazin-1-yl)phenoxy]ethyl})amine
• IUPAC Traditional name: dimethyl({2-[2-(piperazin-1-yl)phenoxy]ethyl})amine
• Synonyms: dimethyl({2-[2-(piperazin-1-yl)phenoxy]ethyl})amine

Database IDs

• MDL Number: MFCD16498462
• PubChem SID: 164333443
• PubChem CID: 18436777

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -4.6715026
• LogD (pH = 7.4): -1.4598348
• Log P: 1.4063345
• Molar Refractivity: 75.7243 cm^3
• Polarizability: 29.21088 Å^3
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.705

Product Information

• Purity: 95%