2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine

C11H20F2N2O — CID 174203443

IUPAC2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine
SMILESFC(F)C1CNCCN1CC1CCOCC1
InChIInChI=1S/C11H20F2N2O/c12-11(13)10-7-14-3-4-15(10)8-9-1-5-16-6-2-9/h9-11,14H,1-8H2
InChIKeyIHGVLSSPNHDIQI-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.95
Rot. Bonds3

About 2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine

2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine (PubChem CID 174203443) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine
PubChem CID174203443
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine
SMILESFC(F)C1CNCCN1CC1CCOCC1
InChIInChI=1S/C11H20F2N2O/c12-11(13)10-7-14-3-4-15(10)8-9-1-5-16-6-2-9/h9-11,14H,1-8H2
InChIKeyIHGVLSSPNHDIQI-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine (CID 174203443) is 2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine is FC(F)C1CNCCN1CC1CCOCC1.
What is the InChIKey of 2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is IHGVLSSPNHDIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c12-11(13)10-7-14-3-4-15(10)8-9-1-5-16-6-2-9/h9-11,14H,1-8H2.
What are the key properties of 2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine?
2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 234.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 174203443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).