1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine

C11H20N4 — CID 54592590

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
SMILESCCn1ccnc1CN1CCNCC1C
InChIInChI=1S/C11H20N4/c1-3-14-7-5-13-11(14)9-15-6-4-12-8-10(15)2/h5,7,10,12H,3-4,6,8-9H2,1-2H3
InChIKeyVUSYJLKFNYSWBQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.70
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine

1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine (PubChem CID 54592590) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
PubChem CID54592590
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
SMILESCCn1ccnc1CN1CCNCC1C
InChIInChI=1S/C11H20N4/c1-3-14-7-5-13-11(14)9-15-6-4-12-8-10(15)2/h5,7,10,12H,3-4,6,8-9H2,1-2H3
InChIKeyVUSYJLKFNYSWBQ-UHFFFAOYSA-N
XLogP0.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine (CID 54592590) is 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine is CCn1ccnc1CN1CCNCC1C.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine?
The InChIKey is VUSYJLKFNYSWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-14-7-5-13-11(14)9-15-6-4-12-8-10(15)2/h5,7,10,12H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine?
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine has a molecular weight of 208.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine is sourced from PubChem (CID 54592590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).