1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one

C12H22F2N2O — CID 176833958

IUPAC1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC1NC(C(F)F)C(C)NC1C(=O)C(C)(C)C
InChIInChI=1S/C12H22F2N2O/c1-6-8(10(17)12(3,4)5)15-7(2)9(16-6)11(13)14/h6-9,11,15-16H,1-5H3
InChIKeyWZRQVBSRZWEEFC-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.57
Rot. Bonds2

About 1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one

1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 176833958) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID176833958
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC1NC(C(F)F)C(C)NC1C(=O)C(C)(C)C
InChIInChI=1S/C12H22F2N2O/c1-6-8(10(17)12(3,4)5)15-7(2)9(16-6)11(13)14/h6-9,11,15-16H,1-5H3
InChIKeyWZRQVBSRZWEEFC-UHFFFAOYSA-N
XLogP1.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one (CID 176833958) is 1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one is CC1NC(C(F)F)C(C)NC1C(=O)C(C)(C)C.
What is the InChIKey of 1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is WZRQVBSRZWEEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-6-8(10(17)12(3,4)5)15-7(2)9(16-6)11(13)14/h6-9,11,15-16H,1-5H3.
What are the key properties of 1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one?
1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 248.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176833958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).