2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 154577427

IUPAC2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)C(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-9(2,3)8(12)11-6-4-10-5-7-11;3-2(4,5)1(6)7/h10H,4-7H2,1-3H3;(H,6,7)
InChIKeyBADGSAIBBNOSKA-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.10
Rot. Bonds

About 2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid

2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 154577427) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
PubChem CID154577427
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)C(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-9(2,3)8(12)11-6-4-10-5-7-11;3-2(4,5)1(6)7/h10H,4-7H2,1-3H3;(H,6,7)
InChIKeyBADGSAIBBNOSKA-UHFFFAOYSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid (CID 154577427) is 2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid is CC(C)(C)C(=O)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is BADGSAIBBNOSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-9(2,3)8(12)11-6-4-10-5-7-11;3-2(4,5)1(6)7/h10H,4-7H2,1-3H3;(H,6,7).
What are the key properties of 2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154577427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).