N-ethyl-2-(piperidin-4-yloxy)acetamide

• ChemBase ID: 297672
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: CCNC(=O)COC1CCNCC1
• Canonical SMILES: CCNC(=O)COC1CCNCC1
• InChI: InChI=1S/C9H18N2O2/c1-2-11-9(12)7-13-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3,(H,11,12)
• InChIKey: FICKGLKQSSSVOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-(piperidin-4-yloxy)acetamide
• IUPAC Traditional name: N-ethyl-2-(piperidin-4-yloxy)acetamide
• Synonyms: N-Ethyl-2-(4-piperidinyloxy)acetamide; N-乙基-2-(4-哌啶氧基)乙酰胺

Database IDs

• CAS Number: 521074-81-7
• MDL Number: MFCD08061052
• PubChem SID: 180683203
• PubChem CID: 20298099

CALCULATED PROPERTIES

• Acid pKa: 15.621976
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.2001014
• LogD (pH = 7.4): -3.5116763
• Log P: -0.9801677
• Molar Refractivity: 50.721 cm^3
• Polarizability: 20.017399 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%