2-(4-fluorophenyl)-2-(piperidin-1-yl)acetamide

• ChemBase ID: 33633
• Molecular Formular: C13H17FN2O
• Molecular Mass: 236.2852832
• Monoisotopic Mass: 236.13249139
• SMILES: N1(C(C(=O)N)c2ccc(cc2)F)CCCCC1
• Canonical SMILES: NC(=O)C(c1ccc(cc1)F)N1CCCCC1
• InChI: InChI=1S/C13H17FN2O/c14-11-6-4-10(5-7-11)12(13(15)17)16-8-2-1-3-9-16/h4-7,12H,1-3,8-9H2,(H2,15,17)
• InChIKey: STPCMKBXSFJGCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-2-(piperidin-1-yl)acetamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-2-(piperidin-1-yl)acetamide
• Synonyms: 2-(4-Fluorophenyl)-2-piperidin-1-ylacetamide

Database IDs

• MDL Number: MFCD12026895
• PubChem SID: 160996940
• PubChem CID: 25219322

CALCULATED PROPERTIES

• Acid pKa: 15.227677
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.31812033
• LogD (pH = 7.4): 1.6557592
• Log P: 1.7907076
• Molar Refractivity: 64.6112 cm^3
• Polarizability: 24.880894 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false