N-tert-butyl-2-(piperidin-3-yloxy)acetamide

• ChemBase ID: 297679
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: CC(C)(C)NC(=O)COC1CCCNC1
• Canonical SMILES: O=C(NC(C)(C)C)COC1CCCNC1
• InChI: InChI=1S/C11H22N2O2/c1-11(2,3)13-10(14)8-15-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)
• InChIKey: RHZARILSPOXHFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-2-(piperidin-3-yloxy)acetamide
• IUPAC Traditional name: N-tert-butyl-2-(piperidin-3-yloxy)acetamide
• Synonyms: N-tert-Butyl-2-(3-piperidinyloxy)acetamide; N-叔丁基-2-(3-哌啶氧基)乙酰胺

Database IDs

• CAS Number: 902836-73-1
• MDL Number: MFCD08061064
• PubChem SID: 180683210
• PubChem CID: 24208862

CALCULATED PROPERTIES

• Acid pKa: 15.515879
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9700015
• LogD (pH = 7.4): -1.749586
• Log P: 0.17438696
• Molar Refractivity: 59.5572 cm^3
• Polarizability: 23.692034 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