2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one

C10H17F3N2O — CID 58469219

IUPAC2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-9(2,3)8(16)15-5-4-14-7(6-15)10(11,12)13/h7,14H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyVGWKFGYTXXZWIE-ZETCQYMHSA-N
MW238.25 g/mol
LogP1.40
Rot. Bonds

About 2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one (PubChem CID 58469219) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
PubChem CID58469219
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-9(2,3)8(16)15-5-4-14-7(6-15)10(11,12)13/h7,14H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyVGWKFGYTXXZWIE-ZETCQYMHSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-Trifluoro-1-(piperazin-1-yl)propan-1-one
CID 16777605
2,2-Dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 45505225
1-(2,2-Dimethylpropanoyl)piperazine
CID 2761408
1-(3,3-Dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 58562017
2,2-Dimethyl-1-(piperazin-1-yl)propan-1-one; trifluoroacetic acid
CID 154577427
N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 84598300
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 153399082
1-(2,6-Dimethylpiperazin-1-yl)ethan-1-one
CID 12914605
3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide
CID 51079646
5,5-Dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-2-one
CID 119051597
N-(1-ethylpiperidin-3-yl)-2,2,2-trifluoroacetamide
CID 62726929
1-(2,5-Dimethylpiperazin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 108093869

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one (CID 58469219) is 2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCN[C@H](C(F)(F)F)C1.
What is the InChIKey of 2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The InChIKey is VGWKFGYTXXZWIE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-9(2,3)8(16)15-5-4-14-7(6-15)10(11,12)13/h7,14H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one has a molecular weight of 238.25 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 58469219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).