1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine

C12H22N4O — CID 106552035

IUPAC1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine
SMILESCOCC(C)n1cc(C)nc1N1CCNCC1
InChIInChI=1S/C12H22N4O/c1-10-8-16(11(2)9-17-3)12(14-10)15-6-4-13-5-7-15/h8,11,13H,4-7,9H2,1-3H3
InChIKeyGQUFONOAHCJSIY-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.81
Rot. Bonds4

About 1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine

1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine (PubChem CID 106552035) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine
PubChem CID106552035
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine
SMILESCOCC(C)n1cc(C)nc1N1CCNCC1
InChIInChI=1S/C12H22N4O/c1-10-8-16(11(2)9-17-3)12(14-10)15-6-4-13-5-7-15/h8,11,13H,4-7,9H2,1-3H3
InChIKeyGQUFONOAHCJSIY-UHFFFAOYSA-N
XLogP0.81
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine
CID 106552012
2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine
CID 106552704
1-(1-methoxypropan-2-yl)-N,4-dimethyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
CID 106553043
1-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine
CID 106553545
N-ethyl-1-(1-methoxypropan-2-yl)-4-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
CID 106553078
4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole
CID 117189652
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
1-[4-ethyl-1-(1-methoxypropan-2-yl)imidazol-2-yl]-N,4-dimethylpiperidin-4-amine
CID 106553304
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557337
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine
CID 106552497

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine?
The IUPAC name of 1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine (CID 106552035) is 1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine.
What is the SMILES notation for 1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine?
The canonical SMILES for 1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine is COCC(C)n1cc(C)nc1N1CCNCC1.
What is the InChIKey of 1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine?
The InChIKey is GQUFONOAHCJSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-8-16(11(2)9-17-3)12(14-10)15-6-4-13-5-7-15/h8,11,13H,4-7,9H2,1-3H3.
What are the key properties of 1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine?
1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine has a molecular weight of 238.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine is sourced from PubChem (CID 106552035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).