2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine

C16H34N4O — CID 139768658

IUPAC2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine
SMILESCCC1CNCCN1CCOCCN1CCNCC1CC
InChIInChI=1S/C16H34N4O/c1-3-15-13-17-5-7-19(15)9-11-21-12-10-20-8-6-18-14-16(20)4-2/h15-18H,3-14H2,1-2H3
InChIKeyAITLUBWLRSEKMS-UHFFFAOYSA-N
MW298.47 g/mol
LogP0.37
Rot. Bonds8

About 2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine

2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine (PubChem CID 139768658) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine
PubChem CID139768658
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine
SMILESCCC1CNCCN1CCOCCN1CCNCC1CC
InChIInChI=1S/C16H34N4O/c1-3-15-13-17-5-7-19(15)9-11-21-12-10-20-8-6-18-14-16(20)4-2/h15-18H,3-14H2,1-2H3
InChIKeyAITLUBWLRSEKMS-UHFFFAOYSA-N
XLogP0.37
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine?
The IUPAC name of 2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine (CID 139768658) is 2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine.
What is the SMILES notation for 2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine?
The canonical SMILES for 2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine is CCC1CNCCN1CCOCCN1CCNCC1CC.
What is the InChIKey of 2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine?
The InChIKey is AITLUBWLRSEKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-3-15-13-17-5-7-19(15)9-11-21-12-10-20-8-6-18-14-16(20)4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine?
2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine has a molecular weight of 298.47 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-[2-(2-ethylpiperazin-1-yl)ethoxy]ethyl]piperazine is sourced from PubChem (CID 139768658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).