4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine

C18H23F3N6O — CID 128974960

About 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine

4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine (PubChem CID 128974960) has the molecular formula C18H23F3N6O and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine.

Molecular Properties

• Compound Name: 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
• PubChem CID: 128974960
• Molecular Formula: C18H23F3N6O
• Molecular Weight: 396.42 g/mol
• Exact Mass: 396.19
• IUPAC Name: 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
• SMILES: FC(F)(F)c1ccnc(N2CCCC(c3[nH]ncc3CN3CCOCC3)C2)n1
• InChI: InChI=1S/C18H23F3N6O/c19-18(20,21)15-3-4-22-17(24-15)27-5-1-2-13(12-27)16-14(10-23-25-16)11-26-6-8-28-9-7-26/h3-4,10,13H,1-2,5-9,11-12H2,(H,23,25)
• InChIKey: NOQNVAWHTDCEOG-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 70.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.42
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?

The IUPAC name of 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine (CID 128974960) is 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine.

What is the SMILES notation for 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?

The canonical SMILES for 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine is FC(F)(F)c1ccnc(N2CCCC(c3[nH]ncc3CN3CCOCC3)C2)n1.

What is the InChIKey of 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?

The InChIKey is NOQNVAWHTDCEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O/c19-18(20,21)15-3-4-22-17(24-15)27-5-1-2-13(12-27)16-14(10-23-25-16)11-26-6-8-28-9-7-26/h3-4,10,13H,1-2,5-9,11-12H2,(H,23,25).

What are the key properties of 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?

4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine has a molecular weight of 396.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 128974960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).