4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one

C7H12F2N2O2 — CID 130662608

IUPAC4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one
SMILESO=C1CN(CC(F)(F)CO)CCN1
InChIInChI=1S/C7H12F2N2O2/c8-7(9,5-12)4-11-2-1-10-6(13)3-11/h12H,1-5H2,(H,10,13)
InChIKeyMEALMEIBCVJHFJ-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.95
Rot. Bonds3

About 4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one

4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one (PubChem CID 130662608) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one
PubChem CID130662608
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one
SMILESO=C1CN(CC(F)(F)CO)CCN1
InChIInChI=1S/C7H12F2N2O2/c8-7(9,5-12)4-11-2-1-10-6(13)3-11/h12H,1-5H2,(H,10,13)
InChIKeyMEALMEIBCVJHFJ-UHFFFAOYSA-N
XLogP-0.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53531391
2,2,2-Trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 59815604
Ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 166752840
2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 166752845
(6S)-6-(hydroxymethyl)piperazin-4-ium-2-one;2,2,2-trifluoroacetate
CID 10562222
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 54874894
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 60278250
N-ethyl-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60278251
2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60641719
2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647117
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62022395

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one?
The IUPAC name of 4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one (CID 130662608) is 4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one?
The canonical SMILES for 4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one is O=C1CN(CC(F)(F)CO)CCN1.
What is the InChIKey of 4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one?
The InChIKey is MEALMEIBCVJHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-7(9,5-12)4-11-2-1-10-6(13)3-11/h12H,1-5H2,(H,10,13).
What are the key properties of 4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one?
4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one has a molecular weight of 194.18 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-3-hydroxypropyl)piperazin-2-one is sourced from PubChem (CID 130662608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).