2-(piperidin-4-yloxy)acetamide

• ChemBase ID: 270643
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: C(=O)(COC1CCNCC1)N
• Canonical SMILES: NC(=O)COC1CCNCC1
• InChI: InChI=1S/C7H14N2O2/c8-7(10)5-11-6-1-3-9-4-2-6/h6,9H,1-5H2,(H2,8,10)
• InChIKey: RRVXIYAMTFUTCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yloxy)acetamide
• IUPAC Traditional name: 2-(piperidin-4-yloxy)acetamide
• Synonyms: 2-(piperidin-4-yloxy)acetamide; 2-(4-Piperidinyloxy)acetamide; 2-(4-哌啶基氧基)乙酰胺

Database IDs

• CAS Number: 912761-65-0
• MDL Number: MFCD08061069
• PubChem SID: 164326553
• PubChem CID: 42553403

CALCULATED PROPERTIES

• Acid pKa: 16.03469
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.7805853
• LogD (pH = 7.4): -4.092159
• Log P: -1.5606517
• Molar Refractivity: 41.0757 cm^3
• Polarizability: 16.35 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.694

Safety Information

• Storage Warning: Air Sensitive
• 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: 95%; 99%