1-butan-2-ylpiperazin-2-one;hydrobromide

C8H17BrN2O — CID 141488903

IUPAC1-butan-2-ylpiperazin-2-one;hydrobromide
SMILESBr.CCC(C)N1CCNCC1=O
InChIInChI=1S/C8H16N2O.BrH/c1-3-7(2)10-5-4-9-6-8(10)11;/h7,9H,3-6H2,1-2H3;1H
InChIKeyLYNAXNQVAYEAJK-UHFFFAOYSA-N
MW237.14 g/mol
LogP0.79
Rot. Bonds2

About 1-butan-2-ylpiperazin-2-one;hydrobromide

1-butan-2-ylpiperazin-2-one;hydrobromide (PubChem CID 141488903) has the molecular formula C8H17BrN2O and a molecular weight of 237.14 g/mol. Its IUPAC name is 1-butan-2-ylpiperazin-2-one;hydrobromide.

Molecular Properties

Compound Name1-butan-2-ylpiperazin-2-one;hydrobromide
PubChem CID141488903
Molecular FormulaC8H17BrN2O
Molecular Weight237.14 g/mol
Exact Mass236.05
IUPAC Name1-butan-2-ylpiperazin-2-one;hydrobromide
SMILESBr.CCC(C)N1CCNCC1=O
InChIInChI=1S/C8H16N2O.BrH/c1-3-7(2)10-5-4-9-6-8(10)11;/h7,9H,3-6H2,1-2H3;1H
InChIKeyLYNAXNQVAYEAJK-UHFFFAOYSA-N
XLogP0.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylpiperazin-2-one;hydrobromide?
The IUPAC name of 1-butan-2-ylpiperazin-2-one;hydrobromide (CID 141488903) is 1-butan-2-ylpiperazin-2-one;hydrobromide.
What is the SMILES notation for 1-butan-2-ylpiperazin-2-one;hydrobromide?
The canonical SMILES for 1-butan-2-ylpiperazin-2-one;hydrobromide is Br.CCC(C)N1CCNCC1=O.
What is the InChIKey of 1-butan-2-ylpiperazin-2-one;hydrobromide?
The InChIKey is LYNAXNQVAYEAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.BrH/c1-3-7(2)10-5-4-9-6-8(10)11;/h7,9H,3-6H2,1-2H3;1H.
What are the key properties of 1-butan-2-ylpiperazin-2-one;hydrobromide?
1-butan-2-ylpiperazin-2-one;hydrobromide has a molecular weight of 237.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylpiperazin-2-one;hydrobromide is sourced from PubChem (CID 141488903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).