N-methyl-4-(piperidin-4-yl)benzamide

• ChemBase ID: 800999
• Molecular Formular: C13H18N2O
• Molecular Mass: 218.29482
• Monoisotopic Mass: 218.14191321
• SMILES: c1(ccc(cc1)C1CCNCC1)C(=O)NC
• Canonical SMILES: CNC(=O)c1ccc(cc1)C1CCNCC1
• InChI: InChI=1S/C13H18N2O/c1-14-13(16)12-4-2-10(3-5-12)11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3,(H,14,16)
• InChIKey: MDCWPUNPTDQWBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-(piperidin-4-yl)benzamide
• IUPAC Traditional name: N-methyl-4-(piperidin-4-yl)benzamide
• Synonyms: N-Methyl-4-piperidin-4-yl-benzamide

Database IDs

• CAS Number: 161610-09-9

CALCULATED PROPERTIES

• Acid pKa: 15.084709
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0681503
• LogD (pH = 7.4): -1.3927512
• Log P: 1.1526271
• Molar Refractivity: 65.4541 cm^3
• Polarizability: 24.928417 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%