1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 146455454

IUPAC1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid
SMILESC1CN(C2CCOCC2)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-7-12-8-2-9(1)11-5-3-10-4-6-11;3-2(4,5)1(6)7/h9-10H,1-8H2;(H,6,7)
InChIKeyJHQRNKDRGLCEHR-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.70
Rot. Bonds1

About 1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid

1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid (PubChem CID 146455454) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid
PubChem CID146455454
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid
SMILESC1CN(C2CCOCC2)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-7-12-8-2-9(1)11-5-3-10-4-6-11;3-2(4,5)1(6)7/h9-10H,1-8H2;(H,6,7)
InChIKeyJHQRNKDRGLCEHR-UHFFFAOYSA-N
XLogP0.70
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Oxan-4-yl)-2-(trifluoromethyl)piperazine
CID 115101249
N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146455406
[1-(Oxan-4-yl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 153408589
1-(Oxan-4-yl)-3-(trifluoromethyl)piperazine
CID 175914274
8-(Oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 175992245
(3S)-3-[(3S)-morpholin-3-yl]-4-propan-2-ylmorpholine;2,2,2-trifluoroacetic acid
CID 11851097
(3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid
CID 16742172
N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine
CID 63100195
1-(Tetrahydrofuran-3-yl)piperazinetrifluoroacetic acid salt
CID 75464837

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid (CID 146455454) is 1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid is C1CN(C2CCOCC2)CCN1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is JHQRNKDRGLCEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-7-12-8-2-9(1)11-5-3-10-4-6-11;3-2(4,5)1(6)7/h9-10H,1-8H2;(H,6,7).
What are the key properties of 1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid?
1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146455454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).