4-(trifluoromethyl)piperidin-4-amine

• ChemBase ID: 282231
• Molecular Formular: C6H11F3N2
• Molecular Mass: 168.1601496
• Monoisotopic Mass: 168.08743302
• SMILES: C(C1(N)CCNCC1)(F)(F)F
• Canonical SMILES: FC(C1(N)CCNCC1)(F)F
• InChI: InChI=1S/C6H11F3N2/c7-6(8,9)5(10)1-3-11-4-2-5/h11H,1-4,10H2
• InChIKey: OWOLXDUIPBPYAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(trifluoromethyl)piperidin-4-amine
• IUPAC Traditional name: 4-(trifluoromethyl)piperidin-4-amine
• Synonyms: 4-(trifluoromethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD17480507
• PubChem SID: 180667762
• PubChem CID: 50989635

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3406916
• LogD (pH = 7.4): -2.7558706
• Log P: -0.10283572
• Molar Refractivity: 35.4149 cm^3
• Polarizability: 13.508995 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.359

Product Information

• Purity: 95%