1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid

C9H17F3N2O3 — CID 67376513

IUPAC1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2O.C2HF3O2/c1-10-7-6-9-4-2-8-3-5-9;3-2(4,5)1(6)7/h8H,2-7H2,1H3;(H,6,7)
InChIKeySCNIFSJMGVGCOR-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.17
Rot. Bonds3

About 1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid

1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid (PubChem CID 67376513) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
PubChem CID67376513
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2O.C2HF3O2/c1-10-7-6-9-4-2-8-3-5-9;3-2(4,5)1(6)7/h8H,2-7H2,1H3;(H,6,7)
InChIKeySCNIFSJMGVGCOR-UHFFFAOYSA-N
XLogP0.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Oxetan-3-yl)piperazine; bis(trifluoroacetic acid)
CID 71757861
2-{[2-(Morpholin-4-yl)ethyl]amino}acetic acid
CID 28897547
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]piperazine;2,2,2-trifluoroacetic acid
CID 22011783
1-(2-Methoxy-ethyl)-2-oxopiperazine trifluoroacetic acid salt
CID 67374896
N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 67765031
2-Piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid
CID 68655172
3-Morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 68771782
2-Morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 68772352
2-(2-Piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid
CID 70086364
2-Piperazin-1-ylethyl 2,2,2-trifluoroacetate
CID 84437057
1-[2-(2-Fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid
CID 87998446
2,2-Difluoroacetic acid;2-(2-piperazin-1-ylethoxy)ethyl acetate
CID 88140107

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid (CID 67376513) is 1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid is COCCN1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is SCNIFSJMGVGCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2HF3O2/c1-10-7-6-9-4-2-8-3-5-9;3-2(4,5)1(6)7/h8H,2-7H2,1H3;(H,6,7).
What are the key properties of 1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 258.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67376513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).