1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid

C13H22F3N3O3 — CID 67071352

IUPAC1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC(N2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N3O.C2HF3O2/c1-10(15)13-6-2-11(3-7-13)14-8-4-12-5-9-14;3-2(4,5)1(6)7/h11-12H,2-9H2,1H3;(H,6,7)
InChIKeyDYLLOUQWTWZJAJ-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.54
Rot. Bonds1

About 1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid

1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid (PubChem CID 67071352) has the molecular formula C13H22F3N3O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid
PubChem CID67071352
Molecular FormulaC13H22F3N3O3
Molecular Weight325.33 g/mol
Exact Mass325.16
IUPAC Name1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC(N2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N3O.C2HF3O2/c1-10(15)13-6-2-11(3-7-13)14-8-4-12-5-9-14;3-2(4,5)1(6)7/h11-12H,2-9H2,1H3;(H,6,7)
InChIKeyDYLLOUQWTWZJAJ-UHFFFAOYSA-N
XLogP0.54
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid (CID 67071352) is 1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCC(N2CCNCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is DYLLOUQWTWZJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C2HF3O2/c1-10(15)13-6-2-11(3-7-13)14-8-4-12-5-9-14;3-2(4,5)1(6)7/h11-12H,2-9H2,1H3;(H,6,7).
What are the key properties of 1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid?
1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 325.33 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperazin-1-ylpiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67071352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).