1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine

C13H28N4 — CID 82084531

IUPAC1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
SMILESCCN1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C13H28N4/c1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16/h3-13H2,1-2H3
InChIKeyWUWCCCNGNDHEAL-UHFFFAOYSA-N
MW240.39 g/mol
LogP-0.13
Rot. Bonds4

About 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine

1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine (PubChem CID 82084531) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
PubChem CID82084531
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
SMILESCCN1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C13H28N4/c1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16/h3-13H2,1-2H3
InChIKeyWUWCCCNGNDHEAL-UHFFFAOYSA-N
XLogP-0.13
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
butane;1-ethyl-4-methylpiperazine
CID 143179774
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
ethane;1-ethyl-4-methylpiperazine;methanethiol
CID 142272147
acetaldehyde;1-ethyl-4-methylpiperazine
CID 143528036
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1,4-diethylpiperazine;sulfane
CID 177062456
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine (CID 82084531) is 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine is CCN1CCN(CCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
The InChIKey is WUWCCCNGNDHEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16/h3-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine has a molecular weight of 240.39 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine is sourced from PubChem (CID 82084531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).