1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid

C10H17F3N2O3 — CID 75464837

IUPAC1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid
SMILESC1CN(C2CCOC2)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-6-11-7-8(1)10-4-2-9-3-5-10;3-2(4,5)1(6)7/h8-9H,1-7H2;(H,6,7)
InChIKeyQXRYXDJTSAWDIW-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.31
Rot. Bonds1

About 1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid

1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid (PubChem CID 75464837) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid
PubChem CID75464837
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid
SMILESC1CN(C2CCOC2)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-6-11-7-8(1)10-4-2-9-3-5-10;3-2(4,5)1(6)7/h8-9H,1-7H2;(H,6,7)
InChIKeyQXRYXDJTSAWDIW-UHFFFAOYSA-N
XLogP0.31
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid (CID 75464837) is 1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid is C1CN(C2CCOC2)CCN1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is QXRYXDJTSAWDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2HF3O2/c1-6-11-7-8(1)10-4-2-9-3-5-10;3-2(4,5)1(6)7/h8-9H,1-7H2;(H,6,7).
What are the key properties of 1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid?
1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 75464837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).