4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one

C13H19N3O2 — CID 114056090

IUPAC4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
SMILESCC(O)c1cccnc1N1CCNC(=O)C1(C)C
InChIInChI=1S/C13H19N3O2/c1-9(17)10-5-4-6-14-11(10)16-8-7-15-12(18)13(16,2)3/h4-6,9,17H,7-8H2,1-3H3,(H,15,18)
InChIKeyRJEZAVAIDBVXST-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.85
Rot. Bonds2

About 4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one

4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one (PubChem CID 114056090) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
PubChem CID114056090
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
SMILESCC(O)c1cccnc1N1CCNC(=O)C1(C)C
InChIInChI=1S/C13H19N3O2/c1-9(17)10-5-4-6-14-11(10)16-8-7-15-12(18)13(16,2)3/h4-6,9,17H,7-8H2,1-3H3,(H,15,18)
InChIKeyRJEZAVAIDBVXST-UHFFFAOYSA-N
XLogP0.85
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 55217288
4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione
CID 114056149
4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-3,3-dimethylpiperazin-2-one
CID 83131641
4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946536
4-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946531
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946539
4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one
CID 63596512
1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide
CID 114082238
4-(2-chloro-4-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 102824220
4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 103958913
6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
CID 63606423
4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 113286554

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one (CID 114056090) is 4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one is CC(O)c1cccnc1N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is RJEZAVAIDBVXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(17)10-5-4-6-14-11(10)16-8-7-15-12(18)13(16,2)3/h4-6,9,17H,7-8H2,1-3H3,(H,15,18).
What are the key properties of 4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one?
4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 114056090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).