2-(piperidin-4-yloxy)-N-propylacetamide

• ChemBase ID: 297654
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: CCCNC(=O)COC1CCNCC1
• Canonical SMILES: CCCNC(=O)COC1CCNCC1
• InChI: InChI=1S/C10H20N2O2/c1-2-5-12-10(13)8-14-9-3-6-11-7-4-9/h9,11H,2-8H2,1H3,(H,12,13)
• InChIKey: TZQLDIRIOACOLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yloxy)-N-propylacetamide
• IUPAC Traditional name: 2-(piperidin-4-yloxy)-N-propylacetamide
• Synonyms: 2-(4-Piperidinyloxy)-N-propylacetamide; 2-(4-哌啶氧基)-N-丙基乙酰胺

Database IDs

• CAS Number: 902836-22-0
• MDL Number: MFCD08064265
• PubChem SID: 180683185
• PubChem CID: 24208844

CALCULATED PROPERTIES

• Acid pKa: 15.667631
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.677579
• LogD (pH = 7.4): -2.989154
• Log P: -0.45764527
• Molar Refractivity: 55.245 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 50.36 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

Product Information

• Purity: 95%