3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine

C12H22N4 — CID 116881114

IUPAC3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCNC(c2ncc(C(C)(C)C)[nH]2)C1
InChIInChI=1S/C12H22N4/c1-12(2,3)10-7-14-11(15-10)9-8-16(4)6-5-13-9/h7,9,13H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyVKIARXXLWLZZGC-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.28
Rot. Bonds1

About 3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine

3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine (PubChem CID 116881114) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine
PubChem CID116881114
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCNC(c2ncc(C(C)(C)C)[nH]2)C1
InChIInChI=1S/C12H22N4/c1-12(2,3)10-7-14-11(15-10)9-8-16(4)6-5-13-9/h7,9,13H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyVKIARXXLWLZZGC-UHFFFAOYSA-N
XLogP1.28
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
CID 116881118
5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255768
5-tert-butyl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650696
1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine
CID 116881113
2-(5-tert-butyl-1H-imidazol-2-yl)azepane
CID 64570176
3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine
CID 116881125
1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine
CID 116881129
2-(4-methylpiperazin-2-yl)-1,3-oxazole
CID 69278640
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
CID 75536200
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539
2-(4-methylpiperazin-2-yl)phenol
CID 83445266
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine?
The IUPAC name of 3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine (CID 116881114) is 3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine.
What is the SMILES notation for 3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine?
The canonical SMILES for 3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine is CN1CCNC(c2ncc(C(C)(C)C)[nH]2)C1.
What is the InChIKey of 3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine?
The InChIKey is VKIARXXLWLZZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2,3)10-7-14-11(15-10)9-8-16(4)6-5-13-9/h7,9,13H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of 3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine?
3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine has a molecular weight of 222.34 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine is sourced from PubChem (CID 116881114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).