2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine

C11H18N4 — CID 120869704

IUPAC2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1c1nccn1C
InChIInChI=1S/C11H18N4/c1-3-6-15-8-4-12-9-10(15)11-13-5-7-14(11)2/h3,5,7,10,12H,1,4,6,8-9H2,2H3
InChIKeyDKWKUWGCTAIFNM-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.55
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine

2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine (PubChem CID 120869704) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
PubChem CID120869704
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1c1nccn1C
InChIInChI=1S/C11H18N4/c1-3-6-15-8-4-12-9-10(15)11-13-5-7-14(11)2/h3,5,7,10,12H,1,4,6,8-9H2,2H3
InChIKeyDKWKUWGCTAIFNM-UHFFFAOYSA-N
XLogP0.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.55
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

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
1-(cyclohexylmethyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120871025
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 120870925
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 120869854
1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912331

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine (CID 120869704) is 2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine is C=CCN1CCNCC1c1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine?
The InChIKey is DKWKUWGCTAIFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-6-15-8-4-12-9-10(15)11-13-5-7-14(11)2/h3,5,7,10,12H,1,4,6,8-9H2,2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine?
2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine has a molecular weight of 206.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine is sourced from PubChem (CID 120869704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).