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

• ChemBase ID: 86663
• Molecular Formular: C17H20Cl2N2
• Molecular Mass: 323.2601
• Monoisotopic Mass: 322.10035401
• SMILES: N1(C2c3ccccc3c3c2cccc3)CCNCC1.Cl.Cl
• Canonical SMILES: N1CCN(CC1)C1c2ccccc2c2c1cccc2.Cl.Cl
• InChI: InChI=1S/C17H18N2.2ClH/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;2*1H
• InChIKey: SUASQIFMVLUTNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(9H-fluoren-9-yl)piperazine dihydrochloride
• IUPAC Traditional name: 1-(9H-fluoren-9-yl)piperazine dihydrochloride
• Synonyms: 9-(Piperazin-1-yl)-9H-fluorene dihydrochloride; 1-(9H-Fluoren-9-yl)piperazine dihydrochloride

Database IDs

• CAS Number: 175277-64-2
• MDL Number: MFCD00204076
• PubChem SID: 162073779
• PubChem CID: 2746180

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

Safety Information

• Storage Warning: Corrosive