4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol

C29H37F3N6O3 — CID 58950844

About 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol

4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 58950844) has the molecular formula C29H37F3N6O3 and a molecular weight of 574.65 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol
• PubChem CID: 58950844
• Molecular Formula: C29H37F3N6O3
• Molecular Weight: 574.65 g/mol
• Exact Mass: 574.29
• IUPAC Name: 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol
• SMILES: OC(CN1CCC(c2c[nH]c3ccc(N4CCOCC4)cc23)CC1)C1(O)CCN(c2nccc(C(F)(F)F)n2)CC1
• InChI: InChI=1S/C29H37F3N6O3/c30-29(31,32)25-3-8-33-27(35-25)38-11-6-28(40,7-12-38)26(39)19-36-9-4-20(5-10-36)23-18-34-24-2-1-21(17-22(23)24)37-13-15-41-16-14-37/h1-3,8,17-18,20,26,34,39-40H,4-7,9-16,19H2
• InChIKey: PMGAAPMHMCKKJM-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 100.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.65
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?

The IUPAC name of 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol (CID 58950844) is 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol.

What is the SMILES notation for 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?

The canonical SMILES for 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol is OC(CN1CCC(c2c[nH]c3ccc(N4CCOCC4)cc23)CC1)C1(O)CCN(c2nccc(C(F)(F)F)n2)CC1.

What is the InChIKey of 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?

The InChIKey is PMGAAPMHMCKKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37F3N6O3/c30-29(31,32)25-3-8-33-27(35-25)38-11-6-28(40,7-12-38)26(39)19-36-9-4-20(5-10-36)23-18-34-24-2-1-21(17-22(23)24)37-13-15-41-16-14-37/h1-3,8,17-18,20,26,34,39-40H,4-7,9-16,19H2.

What are the key properties of 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?

4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 574.65 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 58950844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).