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

C12H22N4 — CID 116881215

IUPAC1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
SMILESCCCc1cnc(CC2CN(C)CCN2)[nH]1
InChIInChI=1S/C12H22N4/c1-3-4-10-8-14-12(15-10)7-11-9-16(2)6-5-13-11/h8,11,13H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyXHDPVHXPYANGAW-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.81
Rot. Bonds4

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

1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine (PubChem CID 116881215) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
PubChem CID116881215
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
SMILESCCCc1cnc(CC2CN(C)CCN2)[nH]1
InChIInChI=1S/C12H22N4/c1-3-4-10-8-14-12(15-10)7-11-9-16(2)6-5-13-11/h8,11,13H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyXHDPVHXPYANGAW-UHFFFAOYSA-N
XLogP0.81
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine
CID 116881223
3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine
CID 116881233
4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 114998934
N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine
CID 116976042
5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one
CID 83847703
1-methyl-3-[(1-methylimidazol-2-yl)methyl]piperazine
CID 83443620
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 82237690
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine
CID 116881113
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127
2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine
CID 115415877

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine?
The IUPAC name of 1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine (CID 116881215) is 1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine is CCCc1cnc(CC2CN(C)CCN2)[nH]1.
What is the InChIKey of 1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine?
The InChIKey is XHDPVHXPYANGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-4-10-8-14-12(15-10)7-11-9-16(2)6-5-13-11/h8,11,13H,3-7,9H2,1-2H3,(H,14,15).
What are the key properties of 1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine?
1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine has a molecular weight of 222.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 116881215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).