3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one

C13H22N4O2 — CID 55154891

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCN(CCO)CC2)c1=O
InChIInChI=1S/C13H22N4O2/c1-11(2)17-4-3-14-12(13(17)19)16-7-5-15(6-8-16)9-10-18/h3-4,11,18H,5-10H2,1-2H3
InChIKeyJZBHGINRLMCJED-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.06
Rot. Bonds4

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one

3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one (PubChem CID 55154891) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one
PubChem CID55154891
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCN(CCO)CC2)c1=O
InChIInChI=1S/C13H22N4O2/c1-11(2)17-4-3-14-12(13(17)19)16-7-5-15(6-8-16)9-10-18/h3-4,11,18H,5-10H2,1-2H3
InChIKeyJZBHGINRLMCJED-UHFFFAOYSA-N
XLogP-0.06
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one (CID 55154891) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(N2CCN(CCO)CC2)c1=O.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one?
The InChIKey is JZBHGINRLMCJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11(2)17-4-3-14-12(13(17)19)16-7-5-15(6-8-16)9-10-18/h3-4,11,18H,5-10H2,1-2H3.
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one has a molecular weight of 266.34 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55154891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).