N,N-dimethyl-2-(piperidin-4-yloxy)benzamide

• ChemBase ID: 297699
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: CN(C(=O)c1c(cccc1)OC1CCNCC1)C
• Canonical SMILES: CN(C(=O)c1ccccc1OC1CCNCC1)C
• InChI: InChI=1S/C14H20N2O2/c1-16(2)14(17)12-5-3-4-6-13(12)18-11-7-9-15-10-8-11/h3-6,11,15H,7-10H2,1-2H3
• InChIKey: QZVWCKYONJDMEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(piperidin-4-yloxy)benzamide
• IUPAC Traditional name: N,N-dimethyl-2-(piperidin-4-yloxy)benzamide
• Synonyms: N,N-Dimethyl-2-(4-piperidinyloxy)benzamide; N,N-二甲基-2-(4-哌啶氧基)苯甲酰胺

Database IDs

• CAS Number: 902837-08-5
• MDL Number: MFCD08061086
• PubChem SID: 180683230
• PubChem CID: 44721291

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4500735
• LogD (pH = 7.4): -1.6057547
• Log P: 0.7573252
• Molar Refractivity: 71.5494 cm^3
• Polarizability: 27.52427 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• 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%