2-ethyl-1-piperazin-1-ylbutan-1-one

C10H20N2O — CID 13077526

IUPAC2-ethyl-1-piperazin-1-ylbutan-1-one
SMILESCCC(CC)C(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O/c1-3-9(4-2)10(13)12-7-5-11-6-8-12/h9,11H,3-8H2,1-2H3
InChIKeyYKMRHHWSGTTYBC-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds3

About 2-ethyl-1-piperazin-1-ylbutan-1-one

2-ethyl-1-piperazin-1-ylbutan-1-one (PubChem CID 13077526) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethyl-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-piperazin-1-ylbutan-1-one
PubChem CID13077526
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-ethyl-1-piperazin-1-ylbutan-1-one
SMILESCCC(CC)C(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O/c1-3-9(4-2)10(13)12-7-5-11-6-8-12/h9,11H,3-8H2,1-2H3
InChIKeyYKMRHHWSGTTYBC-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 2-ethyl-1-piperazin-1-ylbutan-1-one (CID 13077526) is 2-ethyl-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 2-ethyl-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 2-ethyl-1-piperazin-1-ylbutan-1-one is CCC(CC)C(=O)N1CCNCC1.
What is the InChIKey of 2-ethyl-1-piperazin-1-ylbutan-1-one?
The InChIKey is YKMRHHWSGTTYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-9(4-2)10(13)12-7-5-11-6-8-12/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-1-piperazin-1-ylbutan-1-one?
2-ethyl-1-piperazin-1-ylbutan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 13077526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).