2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N4O — CID 55149666

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCN1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O/c11-10(12,13)8-15-9(18)7-17-5-3-16(2-1-14)4-6-17/h1-8,14H2,(H,15,18)
InChIKeyCRRGNMPIAIJGSE-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.76
Rot. Bonds5

About 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55149666) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55149666
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCN1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O/c11-10(12,13)8-15-9(18)7-17-5-3-16(2-1-14)4-6-17/h1-8,14H2,(H,15,18)
InChIKeyCRRGNMPIAIJGSE-UHFFFAOYSA-N
XLogP-0.76
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 55149666) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCCN1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CRRGNMPIAIJGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c11-10(12,13)8-15-9(18)7-17-5-3-16(2-1-14)4-6-17/h1-8,14H2,(H,15,18).
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55149666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).