3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one

C9H18N2O2 — CID 22120293

IUPAC3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C)(CO)C(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-9(2,7-12)8(13)11-5-3-10-4-6-11/h10,12H,3-7H2,1-2H3
InChIKeyJFGHLVJYLUULGU-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.56
Rot. Bonds2

About 3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one

3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one (PubChem CID 22120293) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
PubChem CID22120293
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C)(CO)C(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-9(2,7-12)8(13)11-5-3-10-4-6-11/h10,12H,3-7H2,1-2H3
InChIKeyJFGHLVJYLUULGU-UHFFFAOYSA-N
XLogP-0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
1-(1,4-diazepan-1-yl)-2,2,4-trimethylpentan-1-one;hydrochloride
CID 119415827
2-ethyl-2-hydroxy-1-piperazin-1-ylbutan-1-one
CID 142001842
2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one
CID 142030371
1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 39147665
1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea
CID 82511597
(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
CID 70917063
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 39256559
1-(1,4-diazepan-1-yl)-2,2-dimethyl-5-phenylpentan-1-one
CID 119414461
3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 95479218

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one (CID 22120293) is 3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one is CC(C)(CO)C(=O)N1CCNCC1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is JFGHLVJYLUULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,7-12)8(13)11-5-3-10-4-6-11/h10,12H,3-7H2,1-2H3.
What are the key properties of 3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 22120293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).