1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine

C17H36N2O — CID 90430005

IUPAC1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine
SMILESCCC(CCCCCN1CCN(CC)CC1)CCOC
InChIInChI=1S/C17H36N2O/c1-4-17(10-16-20-3)9-7-6-8-11-19-14-12-18(5-2)13-15-19/h17H,4-16H2,1-3H3
InChIKeyQDTGOYVICIKXDT-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.25
Rot. Bonds11

About 1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine

1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine (PubChem CID 90430005) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine
PubChem CID90430005
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine
SMILESCCC(CCCCCN1CCN(CC)CC1)CCOC
InChIInChI=1S/C17H36N2O/c1-4-17(10-16-20-3)9-7-6-8-11-19-14-12-18(5-2)13-15-19/h17H,4-16H2,1-3H3
InChIKeyQDTGOYVICIKXDT-UHFFFAOYSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine?
The IUPAC name of 1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine (CID 90430005) is 1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine is CCC(CCCCCN1CCN(CC)CC1)CCOC.
What is the InChIKey of 1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine?
The InChIKey is QDTGOYVICIKXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-17(10-16-20-3)9-7-6-8-11-19-14-12-18(5-2)13-15-19/h17H,4-16H2,1-3H3.
What are the key properties of 1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine?
1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine has a molecular weight of 284.49 g/mol, XLogP of 3.25, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine is sourced from PubChem (CID 90430005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).