4-(piperidin-4-yl)benzamide

• ChemBase ID: 800899
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: c1(ccc(cc1)C1CCNCC1)C(=O)N
• Canonical SMILES: NC(=O)c1ccc(cc1)C1CCNCC1
• InChI: InChI=1S/C12H16N2O/c13-12(15)11-3-1-9(2-4-11)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2,(H2,13,15)
• InChIKey: AQKSOYVHNMUJHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yl)benzamide
• IUPAC Traditional name: 4-(piperidin-4-yl)benzamide
• Synonyms: 4-Piperidin-4-yl-benzamide

Database IDs

• CAS Number: 886362-49-8

CALCULATED PROPERTIES

• Acid pKa: 14.721023
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2918515
• LogD (pH = 7.4): -1.616844
• Log P: 0.928951
• Molar Refractivity: 60.5574 cm^3
• Polarizability: 23.085312 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%