1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one

C13H26N2O — CID 63609263

IUPAC1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
SMILESCCN1CCN(CC(=O)C(C)(C)C)CC1C
InChIInChI=1S/C13H26N2O/c1-6-15-8-7-14(9-11(15)2)10-12(16)13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyWZJAOJBZDCVJMV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds3

About 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one

1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one (PubChem CID 63609263) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
PubChem CID63609263
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
SMILESCCN1CCN(CC(=O)C(C)(C)C)CC1C
InChIInChI=1S/C13H26N2O/c1-6-15-8-7-14(9-11(15)2)10-12(16)13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyWZJAOJBZDCVJMV-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one (CID 63609263) is 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one is CCN1CCN(CC(=O)C(C)(C)C)CC1C.
What is the InChIKey of 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one?
The InChIKey is WZJAOJBZDCVJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-15-8-7-14(9-11(15)2)10-12(16)13(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one?
1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one has a molecular weight of 226.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 63609263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).