N,N-diethyl-2-(piperidin-3-yloxy)acetamide

• ChemBase ID: 297680
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: CCN(CC)C(=O)COC1CCCNC1
• Canonical SMILES: CCN(C(=O)COC1CCCNC1)CC
• InChI: InChI=1S/C11H22N2O2/c1-3-13(4-2)11(14)9-15-10-6-5-7-12-8-10/h10,12H,3-9H2,1-2H3
• InChIKey: DTZKOSBKJJOCRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-(piperidin-3-yloxy)acetamide
• IUPAC Traditional name: N,N-diethyl-2-(piperidin-3-yloxy)acetamide
• Synonyms: N,N-Diethyl-2-(3-piperidinyloxy)acetamide; N,N-二乙基-2-(3-哌啶氧基)乙酰胺

Database IDs

• CAS Number: 902836-74-2
• MDL Number: MFCD08061065
• PubChem SID: 180683211
• PubChem CID: 24208863

CALCULATED PROPERTIES

• Acid pKa: 19.813747
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0866692
• LogD (pH = 7.4): -1.8662536
• Log P: 0.05771929
• Molar Refractivity: 60.1455 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• 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: 97%