1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine

C11H20N4O — CID 106552012

IUPAC1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine
SMILESCOCC(C)n1ccnc1N1CCNCC1
InChIInChI=1S/C11H20N4O/c1-10(9-16-2)15-8-5-13-11(15)14-6-3-12-4-7-14/h5,8,10,12H,3-4,6-7,9H2,1-2H3
InChIKeyLEEDBMXRWPIALF-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.50
Rot. Bonds4

About 1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine

1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine (PubChem CID 106552012) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine
PubChem CID106552012
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine
SMILESCOCC(C)n1ccnc1N1CCNCC1
InChIInChI=1S/C11H20N4O/c1-10(9-16-2)15-8-5-13-11(15)14-6-3-12-4-7-14/h5,8,10,12H,3-4,6-7,9H2,1-2H3
InChIKeyLEEDBMXRWPIALF-UHFFFAOYSA-N
XLogP0.50
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine
CID 106552035
N-(cyclopropylmethyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106555195
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
CID 106570244
N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563648
1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine
CID 106580375
1-(1-propylimidazol-2-yl)-1,4-diazepane
CID 63974169
1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 106566534
2-N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106578621
1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563876
3-(2-methylimidazol-1-yl)-1-piperazin-1-ylbutan-1-one
CID 82510754

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine?
The IUPAC name of 1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine (CID 106552012) is 1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine.
What is the SMILES notation for 1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine?
The canonical SMILES for 1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine is COCC(C)n1ccnc1N1CCNCC1.
What is the InChIKey of 1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine?
The InChIKey is LEEDBMXRWPIALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-10(9-16-2)15-8-5-13-11(15)14-6-3-12-4-7-14/h5,8,10,12H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine?
1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine has a molecular weight of 224.31 g/mol, XLogP of 0.50, 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)imidazol-2-yl]piperazine is sourced from PubChem (CID 106552012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).