1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol

• Catalog: OFC401930072
• CAS: 401930-07-2
• Category: Fluorinated Pyrimidines
• Synonyms: 1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinol
• Purity: >95%
• MDL Number: MFCD01311906

• IUPAC Name: 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol
• InChI: InChI=1S/C10H12F3N3O/c11-10(12,13)8-1-4-14-9(15-8)16-5-2-7(17)3-6-16/h1,4,7,17H,2-3,5-6H2
• InChI Key: QQWTYVSELDRYPM-UHFFFAOYSA-N
• Isomeric SMILES: C1CN(CCC1O)C2=NC=CC(=N2)C(F)(F)F

• Molecular Formula: C10H12F3N3O
• Molecular Weight: 247.22
• Melting Point: 98-100 °C

• XLogP3-AA: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 247.09324650 g/mol
• Monoisotopic Mass: 247.09324650 g/mol
• Topological Polar Surface Area: 49.2Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 254