2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C14H24F3N3O2 — CID 78894140

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCN(CCO)CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3N3O2/c15-14(16,17)12-2-1-3-20(10-12)13(22)11-19-6-4-18(5-7-19)8-9-21/h12,21H,1-11H2
InChIKeyYDHBESIZIROHQK-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.40
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 78894140) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID78894140
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCN(CCO)CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3N3O2/c15-14(16,17)12-2-1-3-20(10-12)13(22)11-19-6-4-18(5-7-19)8-9-21/h12,21H,1-11H2
InChIKeyYDHBESIZIROHQK-UHFFFAOYSA-N
XLogP0.40
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 78894140) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCN(CCO)CC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is YDHBESIZIROHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c15-14(16,17)12-2-1-3-20(10-12)13(22)11-19-6-4-18(5-7-19)8-9-21/h12,21H,1-11H2.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 323.36 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 78894140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).