1-[4-(trifluoromethoxy)phenyl]piperidin-4-amine

• ChemBase ID: 263606
• Molecular Formular: C12H15F3N2O
• Molecular Mass: 260.2555096
• Monoisotopic Mass: 260.11364777
• SMILES: N1(c2ccc(OC(F)(F)F)cc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)c1ccc(cc1)OC(F)(F)F
• InChI: InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-10(2-4-11)17-7-5-9(16)6-8-17/h1-4,9H,5-8,16H2
• InChIKey: BGDGVWONTSRTNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
• IUPAC Traditional name: 1-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
• Synonyms: 1-[4-(trifluoromethoxy)phenyl]piperidin-4-amine

Database IDs

• MDL Number: MFCD09936587
• PubChem SID: 164319516
• PubChem CID: 24697815

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.34590074
• LogD (pH = 7.4): 0.23762581
• Log P: 2.7235792
• Molar Refractivity: 58.9387 cm^3
• Polarizability: 23.275501 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.125

Product Information

• Purity: 95%