N-methyl-2-(piperidin-4-yloxy)acetamide

• ChemBase ID: 285266
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: C(=O)(NC)COC1CCNCC1
• Canonical SMILES: CNC(=O)COC1CCNCC1
• InChI: InChI=1S/C8H16N2O2/c1-9-8(11)6-12-7-2-4-10-5-3-7/h7,10H,2-6H2,1H3,(H,9,11)
• InChIKey: HAKWJMNQCDJJJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(piperidin-4-yloxy)acetamide
• IUPAC Traditional name: N-methyl-2-(piperidin-4-yloxy)acetamide
• Synonyms: N-methyl-2-(piperidin-4-yloxy)acetamide

Database IDs

• MDL Number: MFCD08061037
• PubChem SID: 180670797
• PubChem CID: 18337222

CALCULATED PROPERTIES

• Acid pKa: 15.66716
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.5569096
• LogD (pH = 7.4): -3.8684843
• Log P: -1.3369756
• Molar Refractivity: 45.9724 cm^3
• Polarizability: 18.182564 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.427

Product Information

• Purity: 95%