(3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine

C12H20N4 — CID 106553892

IUPAC(3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine
SMILESC=CCn1cc(C)nc1N1CCN[C@@H](C)C1
InChIInChI=1S/C12H20N4/c1-4-6-15-9-11(3)14-12(15)16-7-5-13-10(2)8-16/h4,9-10,13H,1,5-8H2,2-3H3/t10-/m0/s1
InChIKeyXLHVCHAHEBZCHN-JTQLQIEISA-N
MW220.32 g/mol
LogP1.18
Rot. Bonds3

About (3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine

(3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine (PubChem CID 106553892) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine
PubChem CID106553892
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine
SMILESC=CCn1cc(C)nc1N1CCN[C@@H](C)C1
InChIInChI=1S/C12H20N4/c1-4-6-15-9-11(3)14-12(15)16-7-5-13-10(2)8-16/h4,9-10,13H,1,5-8H2,2-3H3/t10-/m0/s1
InChIKeyXLHVCHAHEBZCHN-JTQLQIEISA-N
XLogP1.18
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.18
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

1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106552451
1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine
CID 106552601
1-(1-cyclopropyl-4-methylimidazol-2-yl)-3-methylpiperazine
CID 106552964
(3R)-3-methyl-1-(4-methyl-1-phenylimidazol-2-yl)piperazine
CID 106553924
[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 106553383
3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 106553104
3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553508
(4aS,7aS)-6-(4-ethyl-1-prop-2-enylimidazol-2-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106553822
2-ethyl-4-methyl-1-prop-2-enylimidazole
CID 19066610
4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine
CID 106581460
(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine
CID 106553921
2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine
CID 94450675

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine?
The IUPAC name of (3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine (CID 106553892) is (3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine.
What is the SMILES notation for (3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine?
The canonical SMILES for (3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine is C=CCn1cc(C)nc1N1CCN[C@@H](C)C1.
What is the InChIKey of (3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine?
The InChIKey is XLHVCHAHEBZCHN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4/c1-4-6-15-9-11(3)14-12(15)16-7-5-13-10(2)8-16/h4,9-10,13H,1,5-8H2,2-3H3/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine?
(3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine has a molecular weight of 220.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine is sourced from PubChem (CID 106553892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).