N-ethyl-N-methyl-2-(piperidin-3-yloxy)acetamide

• ChemBase ID: 297682
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: CCN(C)C(=O)COC1CCCNC1
• Canonical SMILES: CCN(C(=O)COC1CCCNC1)C
• InChI: InChI=1S/C10H20N2O2/c1-3-12(2)10(13)8-14-9-5-4-6-11-7-9/h9,11H,3-8H2,1-2H3
• InChIKey: RGAXXCQGYNHPFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-methyl-2-(piperidin-3-yloxy)acetamide
• IUPAC Traditional name: N-ethyl-N-methyl-2-(piperidin-3-yloxy)acetamide
• Synonyms: N-Ethyl-N-methyl-2-(3-piperidinyloxy)acetamide; N-乙基-N-甲基-2-(3-哌啶氧基)乙酰胺

Database IDs

• CAS Number: 902836-76-4
• MDL Number: MFCD08061067
• PubChem SID: 180683213
• PubChem CID: 24208865

CALCULATED PROPERTIES

• Acid pKa: 19.84267
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4434772
• LogD (pH = 7.4): -2.2230616
• Log P: -0.29908866
• Molar Refractivity: 55.3969 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 41.57 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