1-(4-butoxybutyl)-4-butylpiperazine

C16H34N2O — CID 54279164

IUPAC1-(4-butoxybutyl)-4-butylpiperazine
SMILESCCCCOCCCCN1CCN(CCCC)CC1
InChIInChI=1S/C16H34N2O/c1-3-5-9-17-11-13-18(14-12-17)10-7-8-16-19-15-6-4-2/h3-16H2,1-2H3
InChIKeyZYTRQRAUHAKICT-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.00
Rot. Bonds11

About 1-(4-butoxybutyl)-4-butylpiperazine

1-(4-butoxybutyl)-4-butylpiperazine (PubChem CID 54279164) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(4-butoxybutyl)-4-butylpiperazine.

Molecular Properties

Compound Name1-(4-butoxybutyl)-4-butylpiperazine
PubChem CID54279164
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(4-butoxybutyl)-4-butylpiperazine
SMILESCCCCOCCCCN1CCN(CCCC)CC1
InChIInChI=1S/C16H34N2O/c1-3-5-9-17-11-13-18(14-12-17)10-7-8-16-19-15-6-4-2/h3-16H2,1-2H3
InChIKeyZYTRQRAUHAKICT-UHFFFAOYSA-N
XLogP3.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.00
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-(4-butoxybutyl)-4-butylpiperazine?
The IUPAC name of 1-(4-butoxybutyl)-4-butylpiperazine (CID 54279164) is 1-(4-butoxybutyl)-4-butylpiperazine.
What is the SMILES notation for 1-(4-butoxybutyl)-4-butylpiperazine?
The canonical SMILES for 1-(4-butoxybutyl)-4-butylpiperazine is CCCCOCCCCN1CCN(CCCC)CC1.
What is the InChIKey of 1-(4-butoxybutyl)-4-butylpiperazine?
The InChIKey is ZYTRQRAUHAKICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-3-5-9-17-11-13-18(14-12-17)10-7-8-16-19-15-6-4-2/h3-16H2,1-2H3.
What are the key properties of 1-(4-butoxybutyl)-4-butylpiperazine?
1-(4-butoxybutyl)-4-butylpiperazine has a molecular weight of 270.46 g/mol, XLogP of 3.00, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxybutyl)-4-butylpiperazine is sourced from PubChem (CID 54279164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).