3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride

C7H12ClF3N2O — CID 47002426

IUPAC3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H11F3N2O.ClH/c8-7(9,10)5-6(13)12-3-1-11-2-4-12;/h11H,1-5H2;1H
InChIKeyVSAYMYVJEZKLEG-UHFFFAOYSA-N
MW232.63 g/mol
LogP0.79
Rot. Bonds1

About 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride

3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 47002426) has the molecular formula C7H12ClF3N2O and a molecular weight of 232.63 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID47002426
Molecular FormulaC7H12ClF3N2O
Molecular Weight232.63 g/mol
Exact Mass232.06
IUPAC Name3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H11F3N2O.ClH/c8-7(9,10)5-6(13)12-3-1-11-2-4-12;/h11H,1-5H2;1H
InChIKeyVSAYMYVJEZKLEG-UHFFFAOYSA-N
XLogP0.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.63
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Piperazin-1-yl)propan-1-one
CID 3844375
2,2,3,3,4,4,4-Heptafluoro-1-(piperazin-1-yl)butan-1-one
CID 21801001
Trifluoroacetylpiperazine
CID 7172020
3,3,3-Trifluoro-1-(piperazin-1-yl)propan-1-one
CID 16777605
1-(Piperazin-1-yl)propan-1-one hydrochloride
CID 13017829
2,2,2-Trifluoro-1-(piperazin-1-yl)ethan-1-one hydrochloride
CID 22722784
1-(2,2,2-Trifluoroethyl)piperazin-2-one
CID 55252897
4-(2,2,2-Trifluoroethyl)piperazin-2-one
CID 67612876
2-amino-N-(3,3,3-trifluoropropyl)acetamide hydrochloride
CID 121553486
3-Trifluoromethylpiperazin-2-one
CID 82597592
2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide
CID 4216151
2,2,2-Trifluoro-N-[2-(piperazin-1-yl)ethyl]acetamide
CID 20431442

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 47002426) is 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride is Cl.O=C(CC(F)(F)F)N1CCNCC1.
What is the InChIKey of 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is VSAYMYVJEZKLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O.ClH/c8-7(9,10)5-6(13)12-3-1-11-2-4-12;/h11H,1-5H2;1H.
What are the key properties of 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride?
3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 232.63 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 47002426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).