1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C10H18F3N3O2 — CID 79261520

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8-14-7-9(18)16-3-1-15(2-4-16)5-6-17/h14,17H,1-8H2
InChIKeyFLPMYGBAPANZPE-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.73
Rot. Bonds5

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 79261520) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID79261520
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8-14-7-9(18)16-3-1-15(2-4-16)5-6-17/h14,17H,1-8H2
InChIKeyFLPMYGBAPANZPE-UHFFFAOYSA-N
XLogP-0.73
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide
CID 78924430
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60841644
1-[4-[2-(2,2,2-trifluoroethylamino)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 78958458
ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 63373740
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78915307
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 115572419
5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 2759311
1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone
CID 106291879

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 79261520) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is FLPMYGBAPANZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)8-14-7-9(18)16-3-1-15(2-4-16)5-6-17/h14,17H,1-8H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 269.27 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 79261520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).