1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one

C12H22N2O — CID 66828109

IUPAC1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one
SMILESC=C(C)CCC(=O)N1CCN(CC)CC1
InChIInChI=1S/C12H22N2O/c1-4-13-7-9-14(10-8-13)12(15)6-5-11(2)3/h2,4-10H2,1,3H3
InChIKeyUOUMMMSZTKFLGX-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.51
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one

1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one (PubChem CID 66828109) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one
PubChem CID66828109
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one
SMILESC=C(C)CCC(=O)N1CCN(CC)CC1
InChIInChI=1S/C12H22N2O/c1-4-13-7-9-14(10-8-13)12(15)6-5-11(2)3/h2,4-10H2,1,3H3
InChIKeyUOUMMMSZTKFLGX-UHFFFAOYSA-N
XLogP1.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one (CID 66828109) is 1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one is C=C(C)CCC(=O)N1CCN(CC)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one?
The InChIKey is UOUMMMSZTKFLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-13-7-9-14(10-8-13)12(15)6-5-11(2)3/h2,4-10H2,1,3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one?
1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-4-methylpent-4-en-1-one is sourced from PubChem (CID 66828109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).