1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine

C11H19F3N2O — CID 115101298

IUPAC1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CC1CCCCO1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10-7-15-4-5-16(10)8-9-3-1-2-6-17-9/h9-10,15H,1-8H2
InChIKeyFZTQZQLTUQFZAA-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.39
Rot. Bonds2

About 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine

1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine (PubChem CID 115101298) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine
PubChem CID115101298
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CC1CCCCO1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10-7-15-4-5-16(10)8-9-3-1-2-6-17-9/h9-10,15H,1-8H2
InChIKeyFZTQZQLTUQFZAA-UHFFFAOYSA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine (CID 115101298) is 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1CC1CCCCO1.
What is the InChIKey of 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine?
The InChIKey is FZTQZQLTUQFZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)10-7-15-4-5-16(10)8-9-3-1-2-6-17-9/h9-10,15H,1-8H2.
What are the key properties of 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine?
1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine has a molecular weight of 252.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).