4-(2,5-dioxopyrrolidin-1-yl) 1-(9H-fluoren-9-ylmethyl) piperidine-1,4-dicarboxylate

• ChemBase ID: 300182
• Molecular Formular: C25H24N2O6
• Molecular Mass: 448.46786
• Monoisotopic Mass: 448.1634365
• SMILES: C1(CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2)C(=O)ON1C(=O)CCC1=O
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2)ON1C(=O)CCC1=O
• InChI: InChI=1S/C25H24N2O6/c28-22-9-10-23(29)27(22)33-24(30)16-11-13-26(14-12-16)25(31)32-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21H,9-15H2
• InChIKey: RDBHMYCVGMHUQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,5-dioxopyrrolidin-1-yl) 1-(9H-fluoren-9-ylmethyl) piperidine-1,4-dicarboxylate
• IUPAC Traditional name: 4-(2,5-dioxopyrrolidin-1-yl) 1-(9H-fluoren-9-ylmethyl) piperidine-1,4-dicarboxylate
• Synonyms: 1-Fmoc-piperidine-4-carboxylic acid N-hydroxysuccinimide ester; Succinimidyl 1-Fmoc-piperidine-4-carboxylate

Database IDs

• MDL Number: MFCD22988969

CALCULATED PROPERTIES

• Acid pKa: 17.229364
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6649415
• LogD (pH = 7.4): 2.6649415
• Log P: 2.6649415
• Molar Refractivity: 117.831 cm^3
• Polarizability: 46.98126 Å^3
• Polar Surface Area: 93.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%