2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

• ChemBase ID: 308773
• Molecular Formular: C8H17N3O2
• Molecular Mass: 187.23948
• Monoisotopic Mass: 187.1320768
• SMILES: N1(CC(=O)N)CCN(CC1)CCO
• Canonical SMILES: OCCN1CCN(CC1)CC(=O)N
• InChI: InChI=1S/C8H17N3O2/c9-8(13)7-11-3-1-10(2-4-11)5-6-12/h12H,1-7H2,(H2,9,13)
• InChIKey: OJEUKFXLIICKDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
• IUPAC Traditional name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
• Synonyms: 2-[4-(2-hydroxyethyl)-1-piperazinyl]acetamide

Database IDs

• CAS Number: 90228-11-8
• MDL Number: MFCD11505330

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.9384763
• LogD (pH = 7.4): -2.316043
• Log P: -1.9817723
• Molar Refractivity: 50.2373 cm^3
• Polarizability: 19.64174 Å^3
• Polar Surface Area: 69.8 Å^2