ethane;1-(4-methoxybutyl)-4-methylpiperazine

C12H28N2O — CID 154643056

IUPACethane;1-(4-methoxybutyl)-4-methylpiperazine
SMILESCC.COCCCCN1CCN(C)CC1
InChIInChI=1S/C10H22N2O.C2H6/c1-11-6-8-12(9-7-11)5-3-4-10-13-2;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyYLGPZGGWBWQWKS-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.69
Rot. Bonds5

About ethane;1-(4-methoxybutyl)-4-methylpiperazine

ethane;1-(4-methoxybutyl)-4-methylpiperazine (PubChem CID 154643056) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is ethane;1-(4-methoxybutyl)-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-(4-methoxybutyl)-4-methylpiperazine
PubChem CID154643056
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Nameethane;1-(4-methoxybutyl)-4-methylpiperazine
SMILESCC.COCCCCN1CCN(C)CC1
InChIInChI=1S/C10H22N2O.C2H6/c1-11-6-8-12(9-7-11)5-3-4-10-13-2;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyYLGPZGGWBWQWKS-UHFFFAOYSA-N
XLogP1.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.69
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 ethane;1-(4-methoxybutyl)-4-methylpiperazine?
The IUPAC name of ethane;1-(4-methoxybutyl)-4-methylpiperazine (CID 154643056) is ethane;1-(4-methoxybutyl)-4-methylpiperazine.
What is the SMILES notation for ethane;1-(4-methoxybutyl)-4-methylpiperazine?
The canonical SMILES for ethane;1-(4-methoxybutyl)-4-methylpiperazine is CC.COCCCCN1CCN(C)CC1.
What is the InChIKey of ethane;1-(4-methoxybutyl)-4-methylpiperazine?
The InChIKey is YLGPZGGWBWQWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C2H6/c1-11-6-8-12(9-7-11)5-3-4-10-13-2;1-2/h3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methoxybutyl)-4-methylpiperazine?
ethane;1-(4-methoxybutyl)-4-methylpiperazine has a molecular weight of 216.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxybutyl)-4-methylpiperazine is sourced from PubChem (CID 154643056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).