2-[(1-benzylpiperidin-4-yl)oxy]-N,N-dimethylacetamide

• ChemBase ID: 297650
• Molecular Formular: C16H24N2O2
• Molecular Mass: 276.37396
• Monoisotopic Mass: 276.18377802
• SMILES: CN(C)C(=O)COC1CCN(CC1)Cc1ccccc1
• Canonical SMILES: O=C(N(C)C)COC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C16H24N2O2/c1-17(2)16(19)13-20-15-8-10-18(11-9-15)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3
• InChIKey: WYGXZOIPPPSCFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-benzylpiperidin-4-yl)oxy]-N,N-dimethylacetamide
• IUPAC Traditional name: 2-[(1-benzylpiperidin-4-yl)oxy]-N,N-dimethylacetamide
• Synonyms: 2-(1-Benzy-4-piperidinyloxy)-N,N-dimethylacetamide; 2-(1-苄基-4-哌啶氧基)-N,N-二甲基乙酰胺

Database IDs

• MDL Number: MFCD08061032
• PubChem SID: 180683181
• PubChem CID: 24208843

CALCULATED PROPERTIES

• Acid pKa: 19.873762
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.225544
• LogD (pH = 7.4): -0.65049326
• Log P: 0.9942215
• Molar Refractivity: 80.7764 cm^3
• Polarizability: 31.439487 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• 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