1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine

C12H22N4 — CID 90847682

IUPAC1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
SMILESCC=CCN1CC(C)N=C1N1CCNCC1
InChIInChI=1S/C12H22N4/c1-3-4-7-16-10-11(2)14-12(16)15-8-5-13-6-9-15/h3-4,11,13H,5-10H2,1-2H3
InChIKeyFOSOYUCFKZYLEP-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.53
Rot. Bonds2

About 1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine

1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine (PubChem CID 90847682) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
PubChem CID90847682
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
SMILESCC=CCN1CC(C)N=C1N1CCNCC1
InChIInChI=1S/C12H22N4/c1-3-4-7-16-10-11(2)14-12(16)15-8-5-13-6-9-15/h3-4,11,13H,5-10H2,1-2H3
InChIKeyFOSOYUCFKZYLEP-UHFFFAOYSA-N
XLogP0.53
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376448
N-ethyl-N'-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376449
N'-methyl-N-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376940
N'-methyl-N-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376941
1-(4-Methyl-1-pent-2-enyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90905574
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine
CID 91352250
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
CID 91388993
N-[(E)-1-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
CID 118973028
N'-prop-2-enylpiperazine-1-carboximidamide
CID 123817252
N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine
CID 137139798
1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine
CID 142101601
Ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 156641310

Frequently Asked Questions

What is the IUPAC name of 1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine?
The IUPAC name of 1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine (CID 90847682) is 1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine.
What is the SMILES notation for 1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine?
The canonical SMILES for 1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine is CC=CCN1CC(C)N=C1N1CCNCC1.
What is the InChIKey of 1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine?
The InChIKey is FOSOYUCFKZYLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-4-7-16-10-11(2)14-12(16)15-8-5-13-6-9-15/h3-4,11,13H,5-10H2,1-2H3.
What are the key properties of 1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine?
1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine has a molecular weight of 222.34 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine is sourced from PubChem (CID 90847682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).