1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone

C8H13F3N2O — CID 59418253

IUPAC1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone
SMILESC[C@@H]1CN(C)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6-5-12(2)3-4-13(6)7(14)8(9,10)11/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyRNZNKIBUXVXSII-ZCFIWIBFSA-N
MW210.20 g/mol
LogP0.71
Rot. Bonds

About 1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone

1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 59418253) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID59418253
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone
SMILESC[C@@H]1CN(C)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6-5-12(2)3-4-13(6)7(14)8(9,10)11/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyRNZNKIBUXVXSII-ZCFIWIBFSA-N
XLogP0.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
CID 550259
1-(3,4,5-Trimethylpiperazin-1-yl)propan-1-one
CID 107241
1-(2,4,6-Trimethylpiperazin-1-yl)propan-1-one
CID 107242
2,2-Dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 45505225
1-(4-Ethyl-1-piperazinyl)-2,2,2-trifluoroethanone
CID 4079270
2,2,3,3,3-Pentafluoro-1-(4-methyl-piperazin-1-yl)-propan-1-one
CID 10105941
2,2,2-Trifluoro-1-(3-isocyanatopiperidin-1-yl)ethanone
CID 2778966
1-(4,4-Dimethylpiperazin-4-ium-1-yl)-2,2,2-trifluoroethanone
CID 13994781
Ethanone, 1-[4-(2-fluoropropyl)-1-piperazinyl]-
CID 45119588
1-[4-(2,2-Difluoropropyl)piperazin-1-yl]ethanone
CID 51357995
1-[4-(3,3-Difluoropropyl)piperazin-1-yl]ethanone
CID 51358000
1,4-Bis(2,2,3,3,3-pentafluoro-1-oxopropyl)piperazine
CID 621115

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone (CID 59418253) is 1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone is C[C@@H]1CN(C)CCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is RNZNKIBUXVXSII-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-6-5-12(2)3-4-13(6)7(14)8(9,10)11/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of 1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone?
1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 210.20 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 59418253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).