3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid

C11H20F3N3O4 — CID 162326491

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CCN1CCN(CCO)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O2.C2HF3O2/c10-9(14)1-2-11-3-5-12(6-4-11)7-8-13;3-2(4,5)1(6)7/h13H,1-8H2,(H2,10,14);(H,6,7)
InChIKeyXERIPFUVIWQSGO-UHFFFAOYSA-N
MW315.29 g/mol
LogP-0.89
Rot. Bonds5

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid

3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 162326491) has the molecular formula C11H20F3N3O4 and a molecular weight of 315.29 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid
PubChem CID162326491
Molecular FormulaC11H20F3N3O4
Molecular Weight315.29 g/mol
Exact Mass315.14
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CCN1CCN(CCO)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O2.C2HF3O2/c10-9(14)1-2-11-3-5-12(6-4-11)7-8-13;3-2(4,5)1(6)7/h13H,1-8H2,(H2,10,14);(H,6,7)
InChIKeyXERIPFUVIWQSGO-UHFFFAOYSA-N
XLogP-0.89
TPSA107.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid (CID 162326491) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid is NC(=O)CCN1CCN(CCO)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is XERIPFUVIWQSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.C2HF3O2/c10-9(14)1-2-11-3-5-12(6-4-11)7-8-13;3-2(4,5)1(6)7/h13H,1-8H2,(H2,10,14);(H,6,7).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid?
3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 315.29 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162326491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).