2-[4-(piperidin-4-yloxy)phenyl]acetamide

• ChemBase ID: 297724
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: c1cc(ccc1CC(=O)N)OC1CCNCC1
• Canonical SMILES: NC(=O)Cc1ccc(cc1)OC1CCNCC1
• InChI: InChI=1S/C13H18N2O2/c14-13(16)9-10-1-3-11(4-2-10)17-12-5-7-15-8-6-12/h1-4,12,15H,5-9H2,(H2,14,16)
• InChIKey: YJRVGNUSEMMROH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(piperidin-4-yloxy)phenyl]acetamide
• IUPAC Traditional name: 2-[4-(piperidin-4-yloxy)phenyl]acetamide
• Synonyms: 2-[4-(4-Piperidinyloxy)phenyl]acetamide; 2-[4-(4-哌啶氧基)苯基]乙酰胺

Database IDs

• MDL Number: MFCD08061114
• PubChem SID: 180683255
• PubChem CID: 17794115

CALCULATED PROPERTIES

• Acid pKa: 15.924379
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9172602
• LogD (pH = 7.4): -2.0729413
• Log P: 0.29013842
• Molar Refractivity: 65.8074 cm^3
• Polarizability: 25.89662 Å^3
• Polar Surface Area: 64.35 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: 99%