2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride

C18H26Cl2N4 — CID 120758162

IUPAC2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2cnc(C)cn2)cc1.Cl.Cl
InChIInChI=1S/C18H24N4.2ClH/c1-3-15-4-6-16(7-5-15)18-12-19-8-9-22(18)13-17-11-20-14(2)10-21-17;;/h4-7,10-11,18-19H,3,8-9,12-13H2,1-2H3;2*1H
InChIKeyBIHGBLMAPNNTHC-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.34
Rot. Bonds4

About 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride

2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride (PubChem CID 120758162) has the molecular formula C18H26Cl2N4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride.

Molecular Properties

Compound Name2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
PubChem CID120758162
Molecular FormulaC18H26Cl2N4
Molecular Weight369.34 g/mol
Exact Mass368.15
IUPAC Name2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2cnc(C)cn2)cc1.Cl.Cl
InChIInChI=1S/C18H24N4.2ClH/c1-3-15-4-6-16(7-5-15)18-12-19-8-9-22(18)13-17-11-20-14(2)10-21-17;;/h4-7,10-11,18-19H,3,8-9,12-13H2,1-2H3;2*1H
InChIKeyBIHGBLMAPNNTHC-UHFFFAOYSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
2-(4-ethylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120769097
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
CID 120769011
2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120769026
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012
2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120769087
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine
CID 120846597
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846605

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride?
The IUPAC name of 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride (CID 120758162) is 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride.
What is the SMILES notation for 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride?
The canonical SMILES for 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride is CCc1ccc(C2CNCCN2Cc2cnc(C)cn2)cc1.Cl.Cl.
What is the InChIKey of 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride?
The InChIKey is BIHGBLMAPNNTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.2ClH/c1-3-15-4-6-16(7-5-15)18-12-19-8-9-22(18)13-17-11-20-14(2)10-21-17;;/h4-7,10-11,18-19H,3,8-9,12-13H2,1-2H3;2*1H.
What are the key properties of 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride?
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride is sourced from PubChem (CID 120758162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).