4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide

C8H14F3N3O2 — CID 108865944

IUPAC4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide
SMILESO=C(NC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)12-7(16)14-3-1-13(2-4-14)5-6-15/h15H,1-6H2,(H,12,16)
InChIKeyJQJILIFHPKUVLZ-UHFFFAOYSA-N
MW241.21 g/mol
LogP-0.17
Rot. Bonds2

About 4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide

4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide (PubChem CID 108865944) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide
PubChem CID108865944
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide
SMILESO=C(NC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)12-7(16)14-3-1-13(2-4-14)5-6-15/h15H,1-6H2,(H,12,16)
InChIKeyJQJILIFHPKUVLZ-UHFFFAOYSA-N
XLogP-0.17
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide (CID 108865944) is 4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide is O=C(NC(F)(F)F)N1CCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide?
The InChIKey is JQJILIFHPKUVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c9-8(10,11)12-7(16)14-3-1-13(2-4-14)5-6-15/h15H,1-6H2,(H,12,16).
What are the key properties of 4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide has a molecular weight of 241.21 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-(trifluoromethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108865944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).