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

C8H16F3N3O2 — CID 68655173

IUPAC2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate
SMILESNCC[NH+]1CCNCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H15N3.C2HF3O2/c7-1-4-9-5-2-8-3-6-9;3-2(4,5)1(6)7/h8H,1-7H2;(H,6,7)
InChIKeyWLOJFZSNLPGQTD-UHFFFAOYSA-N
MW243.23 g/mol
LogP-3.27
Rot. Bonds2

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

2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate (PubChem CID 68655173) has the molecular formula C8H16F3N3O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate
PubChem CID68655173
Molecular FormulaC8H16F3N3O2
Molecular Weight243.23 g/mol
Exact Mass243.12
IUPAC Name2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate
SMILESNCC[NH+]1CCNCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H15N3.C2HF3O2/c7-1-4-9-5-2-8-3-6-9;3-2(4,5)1(6)7/h8H,1-7H2;(H,6,7)
InChIKeyWLOJFZSNLPGQTD-UHFFFAOYSA-N
XLogP-3.27
TPSA82.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 5-3.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Piperazin-1-ylethylazanium acetate
CID 73556113
Piperazinium bis(trifluoroacetate)
CID 141196287
Trifluoroacetic acid--piperazine (1/1)
CID 54600171
1-Meth-ylpiperazinium acetate
CID 129757428
Piperazin-4-ium trifluoroacetate salt
CID 21903395
2-Piperazin-1-ylacetonitrile;2,2,2-trifluoroacetic acid
CID 21936036
Ethylazanium;piperazin-1-ium;2,2,2-trifluoroacetate
CID 22346451
Piperazin-1-yl 2,2,2-trifluoroacetate
CID 57256971
1-Methylpiperazin-1-ium;2,2,2-trifluoroacetate
CID 67339379
2,2,2-trifluoroacetic acid;(2S,6R)-1,2,6-trimethylpiperazine
CID 68439877
2-Piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid
CID 68655172
1-(4-Fluoro-n-butyl)piperazine trifluoroacetic acid
CID 69793632

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate?
The IUPAC name of 2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate (CID 68655173) is 2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate.
What is the SMILES notation for 2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate?
The canonical SMILES for 2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate is NCC[NH+]1CCNCC1.O=C([O-])C(F)(F)F.
What is the InChIKey of 2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate?
The InChIKey is WLOJFZSNLPGQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3.C2HF3O2/c7-1-4-9-5-2-8-3-6-9;3-2(4,5)1(6)7/h8H,1-7H2;(H,6,7).
What are the key properties of 2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate?
2-piperazin-1-ium-1-ylethanamine;2,2,2-trifluoroacetate has a molecular weight of 243.23 g/mol, XLogP of -3.27, 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-ylethanamine;2,2,2-trifluoroacetate is sourced from PubChem (CID 68655173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).