1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one

C16H25F3N4O2 — CID 122546715

About 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one

1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one (PubChem CID 122546715) has the molecular formula C16H25F3N4O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
• PubChem CID: 122546715
• Molecular Formula: C16H25F3N4O2
• Molecular Weight: 362.40 g/mol
• Exact Mass: 362.19
• IUPAC Name: 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
• SMILES: CCN(C)C1CCN(C(=O)CC(O)c2nccn2CC(F)(F)F)CC1
• InChI: InChI=1S/C16H25F3N4O2/c1-3-21(2)12-4-7-22(8-5-12)14(25)10-13(24)15-20-6-9-23(15)11-16(17,18)19/h6,9,12-13,24H,3-5,7-8,10-11H2,1-2H3
• InChIKey: GTZKZVNFYJRQRM-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 61.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.40
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one?

The IUPAC name of 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one (CID 122546715) is 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one.

What is the SMILES notation for 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one?

The canonical SMILES for 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one is CCN(C)C1CCN(C(=O)CC(O)c2nccn2CC(F)(F)F)CC1.

What is the InChIKey of 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one?

The InChIKey is GTZKZVNFYJRQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O2/c1-3-21(2)12-4-7-22(8-5-12)14(25)10-13(24)15-20-6-9-23(15)11-16(17,18)19/h6,9,12-13,24H,3-5,7-8,10-11H2,1-2H3.

What are the key properties of 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one?

1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one has a molecular weight of 362.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one is sourced from PubChem (CID 122546715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).