1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine

C20H40N2O6 — CID 170143200

IUPAC1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
SMILESC=CCCOCCOCCOCCOCCOCCOCCN1CCNCC1
InChIInChI=1S/C20H40N2O6/c1-2-3-9-23-11-13-25-15-17-27-19-20-28-18-16-26-14-12-24-10-8-22-6-4-21-5-7-22/h2,21H,1,3-20H2
InChIKeyRQFPVZUJNMOEKE-UHFFFAOYSA-N
MW404.55 g/mol
LogP0.57
Rot. Bonds21

About 1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine

1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine (PubChem CID 170143200) has the molecular formula C20H40N2O6 and a molecular weight of 404.55 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
PubChem CID170143200
Molecular FormulaC20H40N2O6
Molecular Weight404.55 g/mol
Exact Mass404.29
IUPAC Name1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
SMILESC=CCCOCCOCCOCCOCCOCCOCCN1CCNCC1
InChIInChI=1S/C20H40N2O6/c1-2-3-9-23-11-13-25-15-17-27-19-20-28-18-16-26-14-12-24-10-8-22-6-4-21-5-7-22/h2,21H,1,3-20H2
InChIKeyRQFPVZUJNMOEKE-UHFFFAOYSA-N
XLogP0.57
TPSA70.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine (CID 170143200) is 1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine is C=CCCOCCOCCOCCOCCOCCOCCN1CCNCC1.
What is the InChIKey of 1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine?
The InChIKey is RQFPVZUJNMOEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O6/c1-2-3-9-23-11-13-25-15-17-27-19-20-28-18-16-26-14-12-24-10-8-22-6-4-21-5-7-22/h2,21H,1,3-20H2.
What are the key properties of 1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine?
1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine has a molecular weight of 404.55 g/mol, XLogP of 0.57, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine is sourced from PubChem (CID 170143200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).