9H-fluoren-9-ylmethyl 4-oxopiperidine-1-carboxylate

• ChemBase ID: 152823
• Molecular Formular: C20H19NO3
• Molecular Mass: 321.36976
• Monoisotopic Mass: 321.13649347
• SMILES: c1ccc2c(c1)c1ccccc1C2COC(=O)N1CCC(=O)CC1
• Canonical SMILES: O=C1CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C20H19NO3/c22-14-9-11-21(12-10-14)20(23)24-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-13H2
• InChIKey: AMWDMRLGMSQZTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl 4-oxopiperidine-1-carboxylate; (9H-fluoren-9-yl)methyl 4-oxopiperidine-1-carboxylate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl 4-oxopiperidine-1-carboxylate
• Synonyms: 1-Fmoc-4-piperidone; 1-FMOC-4-PIPERIDONE; Fmoc-4-哌啶酮

Database IDs

• CAS Number: 204376-55-6
• MDL Number: MFCD00673794
• Beilstein Number: 8857729
• PubChem SID: 162246966; 24871145
• PubChem CID: 736303

CALCULATED PROPERTIES

• Acid pKa: 17.380066
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.205209
• LogD (pH = 7.4): 3.205209
• Log P: 3.205209
• Molar Refractivity: 91.3707 cm^3
• Polarizability: 36.52386 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (HPLC); 98%
• Empirical Formula (Hill Notation): C20H19NO3

DETAILS

Sigma Aldrich - 47555

Packaging
5 g in glass bottle