2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one

C11H22N2O2 — CID 103430580

IUPAC2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)O)CC(C)N1C
InChIInChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)12(8)5)10(14)11(3,4)15/h8-9,15H,6-7H2,1-5H3
InChIKeyORRIKDPUQOMOEK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.31
Rot. Bonds1

About 2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one

2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one (PubChem CID 103430580) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
PubChem CID103430580
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)O)CC(C)N1C
InChIInChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)12(8)5)10(14)11(3,4)15/h8-9,15H,6-7H2,1-5H3
InChIKeyORRIKDPUQOMOEK-UHFFFAOYSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536828
3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536811
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
2-hydroxy-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 58054350
(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl chloride
CID 131028451
cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
CID 130678865
[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid
CID 129247600
1-(3,4,5-trimethylpiperazin-1-yl)prop-2-yn-1-one
CID 130702966
(E)-1-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]but-2-en-1-one
CID 131235815
3-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536652
1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 103429422
2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
CID 134380044

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one (CID 103430580) is 2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one is CC1CN(C(=O)C(C)(C)O)CC(C)N1C.
What is the InChIKey of 2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The InChIKey is ORRIKDPUQOMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)12(8)5)10(14)11(3,4)15/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 103430580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).