N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide

C10H18F3N3O2 — CID 54874894

IUPACN-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8-16(5-6-17)9(18)7-15-3-1-14-2-4-15/h14,17H,1-8H2
InChIKeyIHGFIUNEYSXKCD-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.73
Rot. Bonds5

About N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54874894) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54874894
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC NameN-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8-16(5-6-17)9(18)7-15-3-1-14-2-4-15/h14,17H,1-8H2
InChIKeyIHGFIUNEYSXKCD-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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 54874894) is N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCNCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IHGFIUNEYSXKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)8-16(5-6-17)9(18)7-15-3-1-14-2-4-15/h14,17H,1-8H2.
What are the key properties of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide 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 N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54874894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).