4-[4-(piperidine-1-carbonyl)phenyl]aniline

• ChemBase ID: 290677
• Molecular Formular: C18H20N2O
• Molecular Mass: 280.3642
• Monoisotopic Mass: 280.15756327
• SMILES: O=C(c1ccc(c2ccc(N)cc2)cc1)N1CCCCC1
• Canonical SMILES: Nc1ccc(cc1)c1ccc(cc1)C(=O)N1CCCCC1
• InChI: InChI=1S/C18H20N2O/c19-17-10-8-15(9-11-17)14-4-6-16(7-5-14)18(21)20-12-2-1-3-13-20/h4-11H,1-3,12-13,19H2
• InChIKey: FZVKMFDXUPLACE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(piperidine-1-carbonyl)phenyl]aniline
• IUPAC Traditional name: 4-[4-(piperidine-1-carbonyl)phenyl]aniline
• Synonyms: (4'-Amino-[1,1'-biphenyl]-4-yl)(piperidin-1-yl)methanone

Database IDs

• CAS Number: 1334500-06-9
• PubChem SID: 180676208
• PubChem CID: 54759106

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9283519
• LogD (pH = 7.4): 2.9397564
• Log P: 2.9399037
• Molar Refractivity: 86.9084 cm^3
• Polarizability: 33.773903 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%