N-(4-aminophenyl)-2-(piperidin-1-yl)acetamide

• ChemBase ID: 123797
• Molecular Formular: C13H19N3O
• Molecular Mass: 233.30946
• Monoisotopic Mass: 233.15281224
• SMILES: C(=O)(Nc1ccc(N)cc1)CN1CCCCC1
• Canonical SMILES: O=C(Nc1ccc(cc1)N)CN1CCCCC1
• InChI: InChI=1S/C13H19N3O/c14-11-4-6-12(7-5-11)15-13(17)10-16-8-2-1-3-9-16/h4-7H,1-3,8-10,14H2,(H,15,17)
• InChIKey: DZMDLTMWYNWMFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-2-(piperidin-1-yl)acetamide
• IUPAC Traditional name: N-(4-aminophenyl)-2-(piperidin-1-yl)acetamide
• Synonyms: N-(4-aminophenyl)-2-(piperidin-1-yl)acetamide; N-(4-aminophenyl)-2-piperidin-1-ylacetamide

Database IDs

• CAS Number: 100450-98-4
• MDL Number: MFCD03274586
• PubChem SID: 162218150
• PubChem CID: 1078402

CALCULATED PROPERTIES

• Acid pKa: 14.946017
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8214241
• LogD (pH = 7.4): 0.79924434
• Log P: 1.1238948
• Molar Refractivity: 71.1924 cm^3
• Polarizability: 26.352118 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true