4-[6-(piperazin-1-yl)-4-(trifluoromethyl)pyridin-2-yl]morpholine

• ChemBase ID: 54316
• Molecular Formular: C14H19F3N4O
• Molecular Mass: 316.3220696
• Monoisotopic Mass: 316.15109591
• SMILES: N1CCN(c2nc(cc(c2)C(F)(F)F)N2CCOCC2)CC1
• Canonical SMILES: FC(c1cc(nc(c1)N1CCOCC1)N1CCNCC1)(F)F
• InChI: InChI=1S/C14H19F3N4O/c15-14(16,17)11-9-12(20-3-1-18-2-4-20)19-13(10-11)21-5-7-22-8-6-21/h9-10,18H,1-8H2
• InChIKey: DBYINKNPOXKNLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(piperazin-1-yl)-4-(trifluoromethyl)pyridin-2-yl]morpholine
• IUPAC Traditional name: 4-[6-(piperazin-1-yl)-4-(trifluoromethyl)pyridin-2-yl]morpholine
• Synonyms: 4-(6-Piperazin-1-yl-4-trifluoromethyl-pyridin-2-yl)-morpholine

Database IDs

• MDL Number: MFCD11052383
• PubChem SID: 162059079
• PubChem CID: 56832338

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0807533
• LogD (pH = 7.4): 0.8807339
• Log P: 2.2839959
• Molar Refractivity: 79.1889 cm^3
• Polarizability: 28.364752 Å^3
• Polar Surface Area: 40.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%