2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)

C10H14F6N2O6 — CID 22722759

IUPAC2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.2C2HF3O2/c9-6(10)5-8-3-1-7-2-4-8;2*3-2(4,5)1(6)7/h7H,1-5H2,(H,9,10);2*(H,6,7)
InChIKeySNRIDGDXNJVJLH-UHFFFAOYSA-N
MW372.22 g/mol
LogP0.24
Rot. Bonds2

About 2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)

2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid) (PubChem CID 22722759) has the molecular formula C10H14F6N2O6 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)
PubChem CID22722759
Molecular FormulaC10H14F6N2O6
Molecular Weight372.22 g/mol
Exact Mass372.08
IUPAC Name2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.2C2HF3O2/c9-6(10)5-8-3-1-7-2-4-8;2*3-2(4,5)1(6)7/h7H,1-5H2,(H,9,10);2*(H,6,7)
InChIKeySNRIDGDXNJVJLH-UHFFFAOYSA-N
XLogP0.24
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Piperazin-1-yl-acetic acid
CID 650402
2-(1-Piperazinyl)acetic acid monohydrate
CID 2760429
2-[Bis(carboxymethyl)amino]ethyl-bis(carboxymethyl)-[2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 21811392
1-(2-Fluoroethyl)-2-oxopiperazine trifluoroacetate
CID 22716476
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]acetic acid
CID 43397413
2-[2-[Bis(carboxymethyl)amino]ethyl-(2,2,2-trifluoroethyl)amino]ethyl-bis(carboxymethyl)-[2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 54185530
2-Piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid
CID 68655172
2-[2-(Trifluoromethyl)piperazin-1-yl]acetic acid
CID 84723371
1-(2-Fluoroethyl)piperazine trifluoroacetic acid salt
CID 85911586
1-Ethylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 87064112
2,2,2-Trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine
CID 87099738
1-(2-Fluoroethyl)piperazine diTFA salt
CID 87238377

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid) (CID 22722759) is 2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)CN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SNRIDGDXNJVJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.2C2HF3O2/c9-6(10)5-8-3-1-7-2-4-8;2*3-2(4,5)1(6)7/h7H,1-5H2,(H,9,10);2*(H,6,7).
What are the key properties of 2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)?
2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 372.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 22722759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).