2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate

C8H15F3N2O3 — CID 161296154

IUPAC2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.OCC[NH+]1CCNCC1
InChIInChI=1S/C6H14N2O.C2HF3O2/c9-6-5-8-3-1-7-2-4-8;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7)
InChIKeyVGZMYRHJOKCZSH-UHFFFAOYSA-N
MW244.21 g/mol
LogP-3.23
Rot. Bonds2

About 2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate

2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate (PubChem CID 161296154) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate
PubChem CID161296154
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.OCC[NH+]1CCNCC1
InChIInChI=1S/C6H14N2O.C2HF3O2/c9-6-5-8-3-1-7-2-4-8;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7)
InChIKeyVGZMYRHJOKCZSH-UHFFFAOYSA-N
XLogP-3.23
TPSA76.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-3.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate?
The IUPAC name of 2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate (CID 161296154) is 2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate.
What is the SMILES notation for 2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate?
The canonical SMILES for 2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.OCC[NH+]1CCNCC1.
What is the InChIKey of 2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate?
The InChIKey is VGZMYRHJOKCZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2HF3O2/c9-6-5-8-3-1-7-2-4-8;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7).
What are the key properties of 2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate?
2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate has a molecular weight of 244.21 g/mol, XLogP of -3.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ium-1-ylethanol;2,2,2-trifluoroacetate is sourced from PubChem (CID 161296154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).