(E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one

C11H20N2O — CID 129178376

IUPAC(E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one
SMILESCCC(=O)/C=C/CN1CCN(C)CC1
InChIInChI=1S/C11H20N2O/c1-3-11(14)5-4-6-13-9-7-12(2)8-10-13/h4-5H,3,6-10H2,1-2H3/b5-4+
InChIKeyHYWKARTZJCEPSK-SNAWJCMRSA-N
MW196.29 g/mol
LogP0.77
Rot. Bonds4

About (E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one

(E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one (PubChem CID 129178376) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one
PubChem CID129178376
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one
SMILESCCC(=O)/C=C/CN1CCN(C)CC1
InChIInChI=1S/C11H20N2O/c1-3-11(14)5-4-6-13-9-7-12(2)8-10-13/h4-5H,3,6-10H2,1-2H3/b5-4+
InChIKeyHYWKARTZJCEPSK-SNAWJCMRSA-N
XLogP0.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-(4-methylpiperazin-1-yl)but-2-enoic acid
CID 77102081
(E)-5-fluoro-1-(4-methylpiperazin-1-yl)pent-3-en-2-one
CID 162736798
(E)-5-(4-methylpiperazin-1-yl)pent-3-enamide
CID 144930358
(E)-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)hex-4-en-3-one
CID 171828594
(E)-4-(4-ethylpiperazin-1-yl)but-2-enoic acid;hydrochloride
CID 138617521
(E)-1-amino-5-pyrrolidin-1-ylpent-3-en-2-one
CID 144995702
1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 162736650
(E)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide
CID 145196932
1-[(Z)-4-isocyanatobut-2-enyl]-4-methylpiperazine
CID 117268123
(E)-4-(3-fluoropyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 162736731
4,4-difluoro-1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 146389433
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336

Frequently Asked Questions

What is the IUPAC name of (E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one?
The IUPAC name of (E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one (CID 129178376) is (E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one.
What is the SMILES notation for (E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one?
The canonical SMILES for (E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one is CCC(=O)/C=C/CN1CCN(C)CC1.
What is the InChIKey of (E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one?
The InChIKey is HYWKARTZJCEPSK-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-11(14)5-4-6-13-9-7-12(2)8-10-13/h4-5H,3,6-10H2,1-2H3/b5-4+.
What are the key properties of (E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one?
(E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one has a molecular weight of 196.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(4-methylpiperazin-1-yl)hex-4-en-3-one is sourced from PubChem (CID 129178376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).