2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid)

C11H18F6N2O5 — CID 89106909

IUPAC2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid)
SMILESCOCC1CNCCN1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2O.2C2HF3O2/c1-9-4-3-8-5-7(9)6-10-2;2*3-2(4,5)1(6)7/h7-8H,3-6H2,1-2H3;2*(H,6,7)
InChIKeyXPHDHFMUFHDWEH-UHFFFAOYSA-N
MW372.26 g/mol
LogP0.80
Rot. Bonds2

About 2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid)

2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 89106909) has the molecular formula C11H18F6N2O5 and a molecular weight of 372.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID89106909
Molecular FormulaC11H18F6N2O5
Molecular Weight372.26 g/mol
Exact Mass372.11
IUPAC Name2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid)
SMILESCOCC1CNCCN1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2O.2C2HF3O2/c1-9-4-3-8-5-7(9)6-10-2;2*3-2(4,5)1(6)7/h7-8H,3-6H2,1-2H3;2*(H,6,7)
InChIKeyXPHDHFMUFHDWEH-UHFFFAOYSA-N
XLogP0.80
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Oxetan-3-yl)piperazine; bis(trifluoroacetic acid)
CID 71757861
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]piperazine;2,2,2-trifluoroacetic acid
CID 22011783
Bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine
CID 22460992
1-(2-Methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
CID 67376513
Ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 67625375
2-(2-Piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid
CID 70086364
bis(2,2,2-trifluoroacetic acid);(2R,6S)-1,2,6-trimethylpiperazine
CID 87608817
Ethyl 2-(2,6-dimethylpiperazin-1-yl)propanoate;2,2,2-trifluoroacetic acid
CID 87640590
Ethyl 2-(2,6-dimethylpiperazin-1-yl)-2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 87641332
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

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid) (CID 89106909) is 2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid) is COCC1CNCCN1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is XPHDHFMUFHDWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.2C2HF3O2/c1-9-4-3-8-5-7(9)6-10-2;2*3-2(4,5)1(6)7/h7-8H,3-6H2,1-2H3;2*(H,6,7).
What are the key properties of 2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid)?
2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 372.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-methylpiperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 89106909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).