9H-fluoren-9-ylmethyl N-(piperidin-3-ylmethyl)carbamate

• ChemBase ID: 53435
• Molecular Formular: C21H24N2O2
• Molecular Mass: 336.42746
• Monoisotopic Mass: 336.18377802
• SMILES: C1(c2c(c3c1cccc3)cccc2)COC(=O)NCC1CNCCC1
• Canonical SMILES: O=C(NCC1CCCNC1)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H24N2O2/c24-21(23-13-15-6-5-11-22-12-15)25-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20,22H,5-6,11-14H2,(H,23,24)
• InChIKey: WZHGXXJVKXQRNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-(piperidin-3-ylmethyl)carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-(piperidin-3-ylmethyl)carbamate
• Synonyms: 9H-fluoren-9-ylmethyl N-(piperidin-3-ylmethyl)carbamate; 9H-Fluoren-9-ylmethyl N-(piperidin-3-ylmethyl)-carbamate

Database IDs

• CAS Number: 672310-14-4
• MDL Number: MFCD03001743
• PubChem SID: 162058198
• PubChem CID: 2759176

CALCULATED PROPERTIES

• Acid pKa: 15.75591
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.08341706
• LogD (pH = 7.4): 0.46128806
• Log P: 3.1444852
• Molar Refractivity: 98.8742 cm^3
• Polarizability: 39.85188 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%