1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine

C11H20N4 — CID 117191402

IUPAC1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine
SMILESCc1nc(CN2CCN(C)CC2)cn1C
InChIInChI=1S/C11H20N4/c1-10-12-11(8-14(10)3)9-15-6-4-13(2)5-7-15/h8H,4-7,9H2,1-3H3
InChIKeyJMPXRZOLQHIFFT-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.48
Rot. Bonds2

About 1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine

1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine (PubChem CID 117191402) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine
PubChem CID117191402
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine
SMILESCc1nc(CN2CCN(C)CC2)cn1C
InChIInChI=1S/C11H20N4/c1-10-12-11(8-14(10)3)9-15-6-4-13(2)5-7-15/h8H,4-7,9H2,1-3H3
InChIKeyJMPXRZOLQHIFFT-UHFFFAOYSA-N
XLogP0.48
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine (CID 117191402) is 1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine is Cc1nc(CN2CCN(C)CC2)cn1C.
What is the InChIKey of 1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine?
The InChIKey is JMPXRZOLQHIFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10-12-11(8-14(10)3)9-15-6-4-13(2)5-7-15/h8H,4-7,9H2,1-3H3.
What are the key properties of 1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine?
1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine has a molecular weight of 208.31 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 117191402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).