1-butyl-4-(4-methoxybutyl)piperazine

C13H28N2O — CID 164933279

IUPAC1-butyl-4-(4-methoxybutyl)piperazine
SMILESCCCCN1CCN(CCCCOC)CC1
InChIInChI=1S/C13H28N2O/c1-3-4-7-14-9-11-15(12-10-14)8-5-6-13-16-2/h3-13H2,1-2H3
InChIKeyIGRGYQRITSSQKF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.83
Rot. Bonds8

About 1-butyl-4-(4-methoxybutyl)piperazine

1-butyl-4-(4-methoxybutyl)piperazine (PubChem CID 164933279) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-butyl-4-(4-methoxybutyl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(4-methoxybutyl)piperazine
PubChem CID164933279
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-butyl-4-(4-methoxybutyl)piperazine
SMILESCCCCN1CCN(CCCCOC)CC1
InChIInChI=1S/C13H28N2O/c1-3-4-7-14-9-11-15(12-10-14)8-5-6-13-16-2/h3-13H2,1-2H3
InChIKeyIGRGYQRITSSQKF-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.83
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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Related Compounds

4-(4-Methylpiperazin-1-yl)butan-1-ol
CID 2759304
4-(4-Ethylpiperazin-1-yl)butan-1-ol
CID 22218523
N,N'-bis(butyloxymethyl)piperazine
CID 69597537
Methyl-N'-n-butoxymethylpiperazin
CID 123756514
1-Ethyl-4-(oxolan-2-yl)piperazine
CID 86144381
1-(4-Methoxybutyl)piperazine
CID 2736727
4-(4-Propylpiperazin-1-yl)butan-1-ol
CID 20069517
1-(4-Propoxybutyl)piperazine
CID 20426846
1-Butyl-4-(2-methoxyethyl)piperazine
CID 20426847
1-(3-Methoxypropyl)-4-methylpiperazine
CID 20426849
1-Ethyl-4-(3-methoxypropyl)piperazine
CID 20426852
1-(3-Ethoxypropyl)-4-methylpiperazine
CID 20426854

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-methoxybutyl)piperazine?
The IUPAC name of 1-butyl-4-(4-methoxybutyl)piperazine (CID 164933279) is 1-butyl-4-(4-methoxybutyl)piperazine.
What is the SMILES notation for 1-butyl-4-(4-methoxybutyl)piperazine?
The canonical SMILES for 1-butyl-4-(4-methoxybutyl)piperazine is CCCCN1CCN(CCCCOC)CC1.
What is the InChIKey of 1-butyl-4-(4-methoxybutyl)piperazine?
The InChIKey is IGRGYQRITSSQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-4-7-14-9-11-15(12-10-14)8-5-6-13-16-2/h3-13H2,1-2H3.
What are the key properties of 1-butyl-4-(4-methoxybutyl)piperazine?
1-butyl-4-(4-methoxybutyl)piperazine has a molecular weight of 228.38 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-methoxybutyl)piperazine is sourced from PubChem (CID 164933279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).