N-[(2-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

• ChemBase ID: 13471
• Molecular Formular: C16H25FN2
• Molecular Mass: 264.3815032
• Monoisotopic Mass: 264.20017703
• SMILES: C1(NCc2c(cccc2)F)CC(NC(C1)(C)C)(C)C
• Canonical SMILES: Fc1ccccc1CNC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C16H25FN2/c1-15(2)9-13(10-16(3,4)19-15)18-11-12-7-5-6-8-14(12)17/h5-8,13,18-19H,9-11H2,1-4H3
• InChIKey: QDHFFBCXXNLYOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
• IUPAC Traditional name: N-[(2-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
• Synonyms: (2-Fluoro-benzyl)-(2,2,6,6-tetramethyl-piperidin-4-yl)-amine

Database IDs

• MDL Number: MFCD04035533
• PubChem SID: 160976778
• PubChem CID: 1082629

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5794291
• LogD (pH = 7.4): -0.61783415
• Log P: 2.7123582
• Molar Refractivity: 77.7928 cm^3
• Polarizability: 30.72006 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false