1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine

C14H24N2O3 — CID 144516697

IUPAC1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine
SMILESCOCCOCOC1=CCCC=C1N1CCNCC1
InChIInChI=1S/C14H24N2O3/c1-17-10-11-18-12-19-14-5-3-2-4-13(14)16-8-6-15-7-9-16/h4-5,15H,2-3,6-12H2,1H3
InChIKeyOSPBMMBPSICNPK-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds7

About 1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine

1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine (PubChem CID 144516697) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine
PubChem CID144516697
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine
SMILESCOCCOCOC1=CCCC=C1N1CCNCC1
InChIInChI=1S/C14H24N2O3/c1-17-10-11-18-12-19-14-5-3-2-4-13(14)16-8-6-15-7-9-16/h4-5,15H,2-3,6-12H2,1H3
InChIKeyOSPBMMBPSICNPK-UHFFFAOYSA-N
XLogP1.09
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine?
The IUPAC name of 1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine (CID 144516697) is 1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine.
What is the SMILES notation for 1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine?
The canonical SMILES for 1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine is COCCOCOC1=CCCC=C1N1CCNCC1.
What is the InChIKey of 1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine?
The InChIKey is OSPBMMBPSICNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-17-10-11-18-12-19-14-5-3-2-4-13(14)16-8-6-15-7-9-16/h4-5,15H,2-3,6-12H2,1H3.
What are the key properties of 1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine?
1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine has a molecular weight of 268.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine is sourced from PubChem (CID 144516697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).