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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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).