4-(piperidin-3-yloxy)benzamide

• ChemBase ID: 297713
• Molecular Formular: C12H16N2O2
• Molecular Mass: 220.26764
• Monoisotopic Mass: 220.12117776
• SMILES: c1cc(ccc1C(=O)N)OC1CCCNC1
• Canonical SMILES: NC(=O)c1ccc(cc1)OC1CCCNC1
• InChI: InChI=1S/C12H16N2O2/c13-12(15)9-3-5-10(6-4-9)16-11-2-1-7-14-8-11/h3-6,11,14H,1-2,7-8H2,(H2,13,15)
• InChIKey: OONWJLYEKQSBAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-3-yloxy)benzamide
• IUPAC Traditional name: 4-(piperidin-3-yloxy)benzamide
• Synonyms: 4-(3-Piperidinyloxy)benzamide; 4-(3-哌啶氧基)苯甲酰胺

Database IDs

• CAS Number: 912761-79-6
• MDL Number: MFCD08061104
• PubChem SID: 180683244
• PubChem CID: 44721292

CALCULATED PROPERTIES

• Acid pKa: 14.609673
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.397105
• LogD (pH = 7.4): -1.2600116
• Log P: 0.76737595
• Molar Refractivity: 61.5352 cm^3
• Polarizability: 23.841358 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

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: 96%