piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid

C7H11F3N2O3 — CID 174654736

IUPACpiperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=CC1CNCCN1
InChIInChI=1S/C5H10N2O.C2HF3O2/c8-4-5-3-6-1-2-7-5;3-2(4,5)1(6)7/h4-7H,1-3H2;(H,6,7)
InChIKeySGBGPFJBVSQMLT-UHFFFAOYSA-N
MW228.17 g/mol
LogP-0.62
Rot. Bonds1

About piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid

piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid (PubChem CID 174654736) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid
PubChem CID174654736
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Namepiperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=CC1CNCCN1
InChIInChI=1S/C5H10N2O.C2HF3O2/c8-4-5-3-6-1-2-7-5;3-2(4,5)1(6)7/h4-7H,1-3H2;(H,6,7)
InChIKeySGBGPFJBVSQMLT-UHFFFAOYSA-N
XLogP-0.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid?
The IUPAC name of piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid (CID 174654736) is piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=CC1CNCCN1.
What is the InChIKey of piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid?
The InChIKey is SGBGPFJBVSQMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C2HF3O2/c8-4-5-3-6-1-2-7-5;3-2(4,5)1(6)7/h4-7H,1-3H2;(H,6,7).
What are the key properties of piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid?
piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid has a molecular weight of 228.17 g/mol, XLogP of -0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174654736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).