1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine

C12H22N4 — CID 116881113

IUPAC1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine
SMILESCC(C)Cc1cnc(C2CN(C)CCN2)[nH]1
InChIInChI=1S/C12H22N4/c1-9(2)6-10-7-14-12(15-10)11-8-16(3)5-4-13-11/h7,9,11,13H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyXNUNKQUKKKYZBA-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.18
Rot. Bonds3

About 1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine

1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine (PubChem CID 116881113) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine
PubChem CID116881113
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine
SMILESCC(C)Cc1cnc(C2CN(C)CCN2)[nH]1
InChIInChI=1S/C12H22N4/c1-9(2)6-10-7-14-12(15-10)11-8-16(3)5-4-13-11/h7,9,11,13H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyXNUNKQUKKKYZBA-UHFFFAOYSA-N
XLogP1.18
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine
CID 116881114
1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
CID 116881118
1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine
CID 116881129
3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine
CID 116881125
2-(4-methylpiperazin-2-yl)-1,3-oxazole
CID 69278640
1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
CID 116881215
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539
5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 84686950
N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79973863
3-(3,4-diethoxyphenyl)-1-methylpiperazine
CID 116989258
5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine
CID 170612877
3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
CID 82118990

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine?
The IUPAC name of 1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine (CID 116881113) is 1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine.
What is the SMILES notation for 1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine?
The canonical SMILES for 1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine is CC(C)Cc1cnc(C2CN(C)CCN2)[nH]1.
What is the InChIKey of 1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine?
The InChIKey is XNUNKQUKKKYZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)6-10-7-14-12(15-10)11-8-16(3)5-4-13-11/h7,9,11,13H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of 1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine?
1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine has a molecular weight of 222.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine is sourced from PubChem (CID 116881113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).