1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid)

C15H26F6N2O7 — CID 22011783

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESCOCCOCCOCCN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H24N2O3.2C2HF3O2/c1-14-8-9-16-11-10-15-7-6-13-4-2-12-3-5-13;2*3-2(4,5)1(6)7/h12H,2-11H2,1H3;2*(H,6,7)
InChIKeyKZGCETRTKAJURQ-UHFFFAOYSA-N
MW460.37 g/mol
LogP0.84
Rot. Bonds9

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid)

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 22011783) has the molecular formula C15H26F6N2O7 and a molecular weight of 460.37 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID22011783
Molecular FormulaC15H26F6N2O7
Molecular Weight460.37 g/mol
Exact Mass460.16
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESCOCCOCCOCCN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H24N2O3.2C2HF3O2/c1-14-8-9-16-11-10-15-7-6-13-4-2-12-3-5-13;2*3-2(4,5)1(6)7/h12H,2-11H2,1H3;2*(H,6,7)
InChIKeyKZGCETRTKAJURQ-UHFFFAOYSA-N
XLogP0.84
TPSA117.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(Oxetan-3-yl)piperazine; bis(trifluoroacetic acid)
CID 71757861
1-(2-Methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
CID 67376513
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
Ethyl 2-(2,6-dimethylpiperazin-1-yl)propanoate;2,2,2-trifluoroacetic acid
CID 87640590
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
2-(2-Piperazin-1-ylethoxy)ethyl acetate;bis(2,2,2-trifluoroacetic acid)
CID 88141040
2-(Methoxymethyl)-1-methylpiperazine;2,2,2-trifluoroacetic acid
CID 89106909
[1-(2-Fluoroethyl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 140028550
[1-(2-Methoxyethyl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 140226931

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid) (CID 22011783) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid) is COCCOCCOCCN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is KZGCETRTKAJURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3.2C2HF3O2/c1-14-8-9-16-11-10-15-7-6-13-4-2-12-3-5-13;2*3-2(4,5)1(6)7/h12H,2-11H2,1H3;2*(H,6,7).
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid)?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 460.37 g/mol, XLogP of 0.84, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 22011783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).