2-[4-(trifluoromethyl)phenyl]piperidine

• ChemBase ID: 268511
• Molecular Formular: C12H14F3N
• Molecular Mass: 229.2414696
• Monoisotopic Mass: 229.10783411
• SMILES: C(c1ccc(C2NCCCC2)cc1)(F)(F)F
• Canonical SMILES: FC(c1ccc(cc1)C1CCCCN1)(F)F
• InChI: InChI=1S/C12H14F3N/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11/h4-7,11,16H,1-3,8H2
• InChIKey: BPIPNPGHOKSKPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(trifluoromethyl)phenyl]piperidine
• IUPAC Traditional name: 2-[4-(trifluoromethyl)phenyl]piperidine
• Synonyms: 2-[4-(trifluoromethyl)phenyl]piperidine

Database IDs

• MDL Number: MFCD05190075
• PubChem SID: 164324421
• PubChem CID: 3911556

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.13336319
• LogD (pH = 7.4): 1.1503755
• Log P: 3.3195763
• Molar Refractivity: 57.0919 cm^3
• Polarizability: 21.339178 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36 - 38°C
• Hydrophobicity(logP): 3.376

Product Information

• Purity: 95%