1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine

C20H34N4 — CID 83978531

IUPAC1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
SMILESCCc1ccc(C(CN2CCN(C)CC2)N2CCNC(C)C2)cc1
InChIInChI=1S/C20H34N4/c1-4-18-5-7-19(8-6-18)20(24-10-9-21-17(2)15-24)16-23-13-11-22(3)12-14-23/h5-8,17,20-21H,4,9-16H2,1-3H3
InChIKeyALHSDOXMDICPDJ-UHFFFAOYSA-N
MW330.52 g/mol
LogP1.83
Rot. Bonds5

About 1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine

1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine (PubChem CID 83978531) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
PubChem CID83978531
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC Name1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
SMILESCCc1ccc(C(CN2CCN(C)CC2)N2CCNC(C)C2)cc1
InChIInChI=1S/C20H34N4/c1-4-18-5-7-19(8-6-18)20(24-10-9-21-17(2)15-24)16-23-13-11-22(3)12-14-23/h5-8,17,20-21H,4,9-16H2,1-3H3
InChIKeyALHSDOXMDICPDJ-UHFFFAOYSA-N
XLogP1.83
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178
1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 83978195
1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
CID 83978752
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol
CID 83979668
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 112539497
1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
CID 83977826
2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 82086942
4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 83977807
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83978628
1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol
CID 83979406

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine?
The IUPAC name of 1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine (CID 83978531) is 1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine?
The canonical SMILES for 1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine is CCc1ccc(C(CN2CCN(C)CC2)N2CCNC(C)C2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine?
The InChIKey is ALHSDOXMDICPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4/c1-4-18-5-7-19(8-6-18)20(24-10-9-21-17(2)15-24)16-23-13-11-22(3)12-14-23/h5-8,17,20-21H,4,9-16H2,1-3H3.
What are the key properties of 1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine?
1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine has a molecular weight of 330.52 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine is sourced from PubChem (CID 83978531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).