1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane

C19H42N2O — CID 170953380

IUPAC1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane
SMILESCC.CCCCOCCCCN1CCN(CC(C)CC)CC1
InChIInChI=1S/C17H36N2O.C2H6/c1-4-6-14-20-15-8-7-9-18-10-12-19(13-11-18)16-17(3)5-2;1-2/h17H,4-16H2,1-3H3;1-2H3
InChIKeyJWBYALIJDYNBNY-UHFFFAOYSA-N
MW314.56 g/mol
LogP4.27
Rot. Bonds11

About 1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane

1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane (PubChem CID 170953380) has the molecular formula C19H42N2O and a molecular weight of 314.56 g/mol. Its IUPAC name is 1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane.

Molecular Properties

Compound Name1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane
PubChem CID170953380
Molecular FormulaC19H42N2O
Molecular Weight314.56 g/mol
Exact Mass314.33
IUPAC Name1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane
SMILESCC.CCCCOCCCCN1CCN(CC(C)CC)CC1
InChIInChI=1S/C17H36N2O.C2H6/c1-4-6-14-20-15-8-7-9-18-10-12-19(13-11-18)16-17(3)5-2;1-2/h17H,4-16H2,1-3H3;1-2H3
InChIKeyJWBYALIJDYNBNY-UHFFFAOYSA-N
XLogP4.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 54.27
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

1-(4-Butoxybutyl)-4-butylpiperazine
CID 54279164
2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 54515766
1-Methyl-4-(oxan-4-ylmethyl)piperazine
CID 58723480
N-ethyl-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine
CID 58826569
1-Isopropyl-4-((tetrahydrofuran-3-yl)methyl)piperazine
CID 68032939
1-(4-Methoxybutyl)-4-methylpiperazine
CID 68102477
1-Methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine
CID 70848264
1-(4-Ethoxybutyl)-4-methylpiperazine
CID 70856685
1-(3,3-Dimethylbutyl)-4-(4-methoxy-3,3-dimethylbutyl)piperazine
CID 89747875
1-(4-Methoxy-3,3-dimethylbutyl)-4-propylpiperazine
CID 89750905
1-Methyl-4-(oxolan-3-ylmethyl)piperazine
CID 91328326
1-Ethyl-4-(oxolan-3-ylmethyl)piperazine
CID 128931871

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane?
The IUPAC name of 1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane (CID 170953380) is 1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane.
What is the SMILES notation for 1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane?
The canonical SMILES for 1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane is CC.CCCCOCCCCN1CCN(CC(C)CC)CC1.
What is the InChIKey of 1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane?
The InChIKey is JWBYALIJDYNBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O.C2H6/c1-4-6-14-20-15-8-7-9-18-10-12-19(13-11-18)16-17(3)5-2;1-2/h17H,4-16H2,1-3H3;1-2H3.
What are the key properties of 1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane?
1-(4-butoxybutyl)-4-(2-methylbutyl)piperazine;ethane has a molecular weight of 314.56 g/mol, XLogP of 4.27, 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-(2-methylbutyl)piperazine;ethane is sourced from PubChem (CID 170953380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).