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

C12H22F2N2O — CID 174172877

IUPAC2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESCN1CCN(CC2CCOCC2)C(C(F)F)C1
InChIInChI=1S/C12H22F2N2O/c1-15-4-5-16(11(9-15)12(13)14)8-10-2-6-17-7-3-10/h10-12H,2-9H2,1H3
InChIKeyCISIFVJXFPOYOR-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.29
Rot. Bonds3

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

2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine (PubChem CID 174172877) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine
PubChem CID174172877
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESCN1CCN(CC2CCOCC2)C(C(F)F)C1
InChIInChI=1S/C12H22F2N2O/c1-15-4-5-16(11(9-15)12(13)14)8-10-2-6-17-7-3-10/h10-12H,2-9H2,1H3
InChIKeyCISIFVJXFPOYOR-UHFFFAOYSA-N
XLogP1.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine (CID 174172877) is 2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine is CN1CCN(CC2CCOCC2)C(C(F)F)C1.
What is the InChIKey of 2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is CISIFVJXFPOYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-15-4-5-16(11(9-15)12(13)14)8-10-2-6-17-7-3-10/h10-12H,2-9H2,1H3.
What are the key properties of 2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine?
2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 248.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 174172877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).