1-(2-methylbutyl)piperazin-2-one;hydrobromide

C9H19BrN2O — CID 141488890

IUPAC1-(2-methylbutyl)piperazin-2-one;hydrobromide
SMILESBr.CCC(C)CN1CCNCC1=O
InChIInChI=1S/C9H18N2O.BrH/c1-3-8(2)7-11-5-4-10-6-9(11)12;/h8,10H,3-7H2,1-2H3;1H
InChIKeyMGFNNAGKNUWHFC-UHFFFAOYSA-N
MW251.17 g/mol
LogP1.04
Rot. Bonds3

About 1-(2-methylbutyl)piperazin-2-one;hydrobromide

1-(2-methylbutyl)piperazin-2-one;hydrobromide (PubChem CID 141488890) has the molecular formula C9H19BrN2O and a molecular weight of 251.17 g/mol. Its IUPAC name is 1-(2-methylbutyl)piperazin-2-one;hydrobromide.

Molecular Properties

Compound Name1-(2-methylbutyl)piperazin-2-one;hydrobromide
PubChem CID141488890
Molecular FormulaC9H19BrN2O
Molecular Weight251.17 g/mol
Exact Mass250.07
IUPAC Name1-(2-methylbutyl)piperazin-2-one;hydrobromide
SMILESBr.CCC(C)CN1CCNCC1=O
InChIInChI=1S/C9H18N2O.BrH/c1-3-8(2)7-11-5-4-10-6-9(11)12;/h8,10H,3-7H2,1-2H3;1H
InChIKeyMGFNNAGKNUWHFC-UHFFFAOYSA-N
XLogP1.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)piperazin-2-one;hydrobromide?
The IUPAC name of 1-(2-methylbutyl)piperazin-2-one;hydrobromide (CID 141488890) is 1-(2-methylbutyl)piperazin-2-one;hydrobromide.
What is the SMILES notation for 1-(2-methylbutyl)piperazin-2-one;hydrobromide?
The canonical SMILES for 1-(2-methylbutyl)piperazin-2-one;hydrobromide is Br.CCC(C)CN1CCNCC1=O.
What is the InChIKey of 1-(2-methylbutyl)piperazin-2-one;hydrobromide?
The InChIKey is MGFNNAGKNUWHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.BrH/c1-3-8(2)7-11-5-4-10-6-9(11)12;/h8,10H,3-7H2,1-2H3;1H.
What are the key properties of 1-(2-methylbutyl)piperazin-2-one;hydrobromide?
1-(2-methylbutyl)piperazin-2-one;hydrobromide has a molecular weight of 251.17 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)piperazin-2-one;hydrobromide is sourced from PubChem (CID 141488890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).