(9H-fluoren-9-yl)methyl N-[(piperidin-2-yl)methyl]carbamate

• ChemBase ID: 800976
• Molecular Formular: C21H24N2O2
• Molecular Mass: 336.42746
• Monoisotopic Mass: 336.18377802
• SMILES: N(C(=O)OCC1c2ccccc2c2ccccc12)CC1NCCCC1
• Canonical SMILES: O=C(NCC1CCCCN1)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H24N2O2/c24-21(23-13-15-7-5-6-12-22-15)25-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20,22H,5-7,12-14H2,(H,23,24)
• InChIKey: FJMWJNIFDZWLIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-fluoren-9-yl)methyl N-[(piperidin-2-yl)methyl]carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-(piperidin-2-ylmethyl)carbamate
• Synonyms: Piperidin-2-ylmethyl-carbamic acid 9H-fluoren-9-ylmethyl ester

Database IDs

• CAS Number: 672310-15-5

CALCULATED PROPERTIES

• Acid pKa: 15.235117
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.3570167
• LogD (pH = 7.4): 1.3669627
• Log P: 3.5442994
• Molar Refractivity: 98.5352 cm^3
• Polarizability: 39.85188 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%