4-(piperidin-4-yl)aniline

• ChemBase ID: 800858
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: Nc1ccc(cc1)C1CCNCC1
• Canonical SMILES: Nc1ccc(cc1)C1CCNCC1
• InChI: InChI=1S/C11H16N2/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8,12H2
• InChIKey: NRVYHSVBQNFNAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 113310-52-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.034869
• LogD (pH = 7.4): -1.3581616
• Log P: 1.2493848
• Molar Refractivity: 56.1794 cm^3
• Polarizability: 21.423552 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%