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

C11H20F3N3O2 — CID 107481591

IUPACN-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H20F3N3O2/c1-9(16-4-2-15-3-5-16)10(19)17(6-7-18)8-11(12,13)14/h9,15,18H,2-8H2,1H3
InChIKeyHOKGGTBBDKOPSG-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.34
Rot. Bonds5

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

N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107481591) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107481591
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC NameN-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H20F3N3O2/c1-9(16-4-2-15-3-5-16)10(19)17(6-7-18)8-11(12,13)14/h9,15,18H,2-8H2,1H3
InChIKeyHOKGGTBBDKOPSG-UHFFFAOYSA-N
XLogP-0.34
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.34
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)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 107481591) is N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(CCO)CC(F)(F)F)N1CCNCC1.
What is the InChIKey of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HOKGGTBBDKOPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-9(16-4-2-15-3-5-16)10(19)17(6-7-18)8-11(12,13)14/h9,15,18H,2-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 283.29 g/mol, XLogP of -0.34, 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)propanamide is sourced from PubChem (CID 107481591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).