N-(2-methoxyethyl)-2-(piperazin-1-yl)acetamide

• ChemBase ID: 35415
• Molecular Formular: C9H19N3O2
• Molecular Mass: 201.26606
• Monoisotopic Mass: 201.14772686
• SMILES: N1(CC(=O)NCCOC)CCNCC1
• Canonical SMILES: COCCNC(=O)CN1CCNCC1
• InChI: InChI=1S/C9H19N3O2/c1-14-7-4-11-9(13)8-12-5-2-10-3-6-12/h10H,2-8H2,1H3,(H,11,13)
• InChIKey: VJFDFRNQDABKII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-(piperazin-1-yl)acetamide
• Synonyms: N-(2-methoxyethyl)-2-(piperazin-1-yl)acetamide; N-(2-Methoxyethyl)-2-piperazin-1-ylacetamide

Database IDs

• MDL Number: MFCD07348552
• PubChem SID: 160998722
• PubChem CID: 7131115

CALCULATED PROPERTIES

• Acid pKa: 15.715377
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.521727
• LogD (pH = 7.4): -3.0202556
• Log P: -1.4980177
• Molar Refractivity: 54.5905 cm^3
• Polarizability: 21.546654 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 216 - 218°C
• Hydrophobicity(logP): -0.672

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%