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

• ChemBase ID: 34567
• Molecular Formular: C12H15F3N2O
• Molecular Mass: 260.2555096
• Monoisotopic Mass: 260.11364777
• SMILES: N1CCC(CC1)Nc1ccc(cc1)OC(F)(F)F
• Canonical SMILES: FC(Oc1ccc(cc1)NC1CCNCC1)(F)F
• InChI: InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-9(2-4-11)17-10-5-7-16-8-6-10/h1-4,10,16-17H,5-8H2
• InChIKey: RSADOPHGOBYIGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08059678
• PubChem SID: 160997874
• PubChem CID: 6623740

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7207694
• LogD (pH = 7.4): 0.025079796
• Log P: 2.5208938
• Molar Refractivity: 59.4785 cm^3
• Polarizability: 23.276163 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false