1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid

C9H15F3N2O3 — CID 86690248

IUPAC1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCN[C@H](C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-6-5-9(7(2)10)4-3-8-6;3-2(4,5)1(6)7/h6,8H,3-5H2,1-2H3;(H,6,7)/t6-;/m1./s1
InChIKeyDLEUZIQQNFNAIT-FYZOBXCZSA-N
MW256.22 g/mol
LogP0.46
Rot. Bonds

About 1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid

1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 86690248) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID86690248
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCN[C@H](C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-6-5-9(7(2)10)4-3-8-6;3-2(4,5)1(6)7/h6,8H,3-5H2,1-2H3;(H,6,7)/t6-;/m1./s1
InChIKeyDLEUZIQQNFNAIT-FYZOBXCZSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22460992
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CID 22507590
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CID 22507592
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CID 22716476
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CID 45080912
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CID 46737077
CID 46737077

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid (CID 86690248) is 1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCN[C@H](C)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is DLEUZIQQNFNAIT-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H14N2O.C2HF3O2/c1-6-5-9(7(2)10)4-3-8-6;3-2(4,5)1(6)7/h6,8H,3-5H2,1-2H3;(H,6,7)/t6-;/m1./s1.
What are the key properties of 1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 256.22 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylpiperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86690248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).