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

C8H13F3N2O — CID 71289297

IUPAC1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN[C@H](C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c1-2-7(14)13-4-3-12-6(5-13)8(9,10)11/h6,12H,2-5H2,1H3/t6-/m0/s1
InChIKeyDWDOBGGSGNMAJI-LURJTMIESA-N
MW210.20 g/mol
LogP0.76
Rot. Bonds1

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

1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one (PubChem CID 71289297) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
PubChem CID71289297
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN[C@H](C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c1-2-7(14)13-4-3-12-6(5-13)8(9,10)11/h6,12H,2-5H2,1H3/t6-/m0/s1
InChIKeyDWDOBGGSGNMAJI-LURJTMIESA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3S)-3-(trifluoromethyl)piperazine-1-carboxylate
CID 86337014
3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
CID 176837634
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
ethane;2-(4-propanoylpiperazin-2-yl)acetonitrile
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ethane;(1E,3Z)-1-[3-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
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1-[3-(3,4-dimethyl-1H-pyrrol-2-yl)piperazin-1-yl]propan-1-one
CID 129211836
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103806956
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
N,N-dimethyl-3-(trifluoromethyl)piperazine-1-sulfonamide
CID 175025436
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
1,4-di(propanoyl)-1,4-diazepane-6-carbaldehyde
CID 59110289

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one (CID 71289297) is 1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN[C@H](C(F)(F)F)C1.
What is the InChIKey of 1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The InChIKey is DWDOBGGSGNMAJI-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-7(14)13-4-3-12-6(5-13)8(9,10)11/h6,12H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one has a molecular weight of 210.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71289297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).