4-(9H-fluoren-9-yl)piperazin-1-amine

• ChemBase ID: 239838
• Molecular Formular: C17H19N3
• Molecular Mass: 265.35286
• Monoisotopic Mass: 265.15789762
• SMILES: C1(c2c(c3c1cccc3)cccc2)N1CCN(CC1)N
• Canonical SMILES: NN1CCN(CC1)C1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C17H19N3/c18-20-11-9-19(10-12-20)17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12,18H2
• InChIKey: VJHXLNXGBBFORN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(9H-fluoren-9-yl)piperazin-1-amine
• IUPAC Traditional name: 4-(9H-fluoren-9-yl)piperazin-1-amine
• Synonyms: 4-(9H-fluoren-9-yl)piperazin-1-amine

Database IDs

• MDL Number: MFCD07364319
• PubChem SID: 164295748
• PubChem CID: 16637123

CALCULATED PROPERTIES

• Acid pKa: 18.20147
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.2438865
• LogD (pH = 7.4): 1.512775
• Log P: 2.1617923
• Molar Refractivity: 83.2012 cm^3
• Polarizability: 33.52859 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.307

Product Information

• Purity: 95%