2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid)

C11H16F6N2O6 — CID 160840103

IUPAC2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.2C2HF3O2/c1-8-2-4-9(5-3-8)6-7(10)11;2*3-2(4,5)1(6)7/h2-6H2,1H3,(H,10,11);2*(H,6,7)
InChIKeySHXLBHLNXLDQSJ-UHFFFAOYSA-N
MW386.25 g/mol
LogP0.58
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid)

2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid) (PubChem CID 160840103) has the molecular formula C11H16F6N2O6 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid)
PubChem CID160840103
Molecular FormulaC11H16F6N2O6
Molecular Weight386.25 g/mol
Exact Mass386.09
IUPAC Name2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.2C2HF3O2/c1-8-2-4-9(5-3-8)6-7(10)11;2*3-2(4,5)1(6)7/h2-6H2,1H3,(H,10,11);2*(H,6,7)
InChIKeySHXLBHLNXLDQSJ-UHFFFAOYSA-N
XLogP0.58
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid) (CID 160840103) is 2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid) is CN1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SHXLBHLNXLDQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2C2HF3O2/c1-8-2-4-9(5-3-8)6-7(10)11;2*3-2(4,5)1(6)7/h2-6H2,1H3,(H,10,11);2*(H,6,7).
What are the key properties of 2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid)?
2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 386.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)acetic acid;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 160840103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).