tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate

C17H34N4O3 — CID 146223774

IUPACtert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOCCN2CCNCC2)CC1
InChIInChI=1S/C17H34N4O3/c1-17(2,3)24-16(22)21-10-8-20(9-11-21)13-15-23-14-12-19-6-4-18-5-7-19/h18H,4-15H2,1-3H3
InChIKeyTZBKOSGGUDGRLG-UHFFFAOYSA-N
MW342.48 g/mol
LogP0.46
Rot. Bonds6

About tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate (PubChem CID 146223774) has the molecular formula C17H34N4O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate
PubChem CID146223774
Molecular FormulaC17H34N4O3
Molecular Weight342.48 g/mol
Exact Mass342.26
IUPAC Nametert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOCCN2CCNCC2)CC1
InChIInChI=1S/C17H34N4O3/c1-17(2,3)24-16(22)21-10-8-20(9-11-21)13-15-23-14-12-19-6-4-18-5-7-19/h18H,4-15H2,1-3H3
InChIKeyTZBKOSGGUDGRLG-UHFFFAOYSA-N
XLogP0.46
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate (CID 146223774) is tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCOCCN2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate?
The InChIKey is TZBKOSGGUDGRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3/c1-17(2,3)24-16(22)21-10-8-20(9-11-21)13-15-23-14-12-19-6-4-18-5-7-19/h18H,4-15H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate has a molecular weight of 342.48 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 146223774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).