1-(9H-fluoren-9-yl)piperazine

• ChemBase ID: 113136
• Molecular Formular: C17H18N2
• Molecular Mass: 250.33822
• Monoisotopic Mass: 250.14699859
• SMILES: C1(c2c(c3c1cccc3)cccc2)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)C1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C17H18N2/c1-3-7-15-13(5-1)14-6-2-4-8-16(14)17(15)19-11-9-18-10-12-19/h1-8,17-18H,9-12H2
• InChIKey: GIIZMBGIKACGIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(9H-fluoren-9-yl)piperazine
• IUPAC Traditional name: 1-(9H-fluoren-9-yl)piperazine
• Synonyms: 1-(9H-fluoren-9-yl)piperazine

Database IDs

• MDL Number: MFCD00230324
• PubChem SID: 162097773
• PubChem CID: 410205

CALCULATED PROPERTIES

• Acid pKa: 18.201885
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4777305
• LogD (pH = 7.4): 0.8800938
• Log P: 2.8369339
• Molar Refractivity: 78.7171 cm^3
• Polarizability: 32.234615 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.109
• Hydrophobicity(logP): 3.119

Product Information

• Purity: 95%; 95+%