5-methyl-1-(2-propoxyethyl)-2-propylpiperazine

C13H28N2O — CID 106458506

IUPAC5-methyl-1-(2-propoxyethyl)-2-propylpiperazine
SMILESCCCOCCN1CC(C)NCC1CCC
InChIInChI=1S/C13H28N2O/c1-4-6-13-10-14-12(3)11-15(13)7-9-16-8-5-2/h12-14H,4-11H2,1-3H3
InChIKeyQEPPXEGWFWUKOF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About 5-methyl-1-(2-propoxyethyl)-2-propylpiperazine

5-methyl-1-(2-propoxyethyl)-2-propylpiperazine (PubChem CID 106458506) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-methyl-1-(2-propoxyethyl)-2-propylpiperazine.

Molecular Properties

Compound Name5-methyl-1-(2-propoxyethyl)-2-propylpiperazine
PubChem CID106458506
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-methyl-1-(2-propoxyethyl)-2-propylpiperazine
SMILESCCCOCCN1CC(C)NCC1CCC
InChIInChI=1S/C13H28N2O/c1-4-6-13-10-14-12(3)11-15(13)7-9-16-8-5-2/h12-14H,4-11H2,1-3H3
InChIKeyQEPPXEGWFWUKOF-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-2-propylpiperazine
CID 104567840
5-methyl-1-(2-propan-2-yloxyethyl)-2-propylpiperazine
CID 64846067
1-(3-fluoropropyl)-5-methyl-2-propylpiperazine
CID 81113110
1-(2-ethoxyethyl)-2,5-dipropylpiperazine
CID 64844595
1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 64845397
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64845683
5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
CID 114334915
1-(2-ethoxyethyl)-2-ethyl-5-propylpiperazine
CID 64846765
2-cyclopropyl-2,5-dimethyl-1-(2-propoxyethyl)piperazine
CID 106458523
1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
CID 64839963
2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64845197
2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine
CID 64939101

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-propoxyethyl)-2-propylpiperazine?
The IUPAC name of 5-methyl-1-(2-propoxyethyl)-2-propylpiperazine (CID 106458506) is 5-methyl-1-(2-propoxyethyl)-2-propylpiperazine.
What is the SMILES notation for 5-methyl-1-(2-propoxyethyl)-2-propylpiperazine?
The canonical SMILES for 5-methyl-1-(2-propoxyethyl)-2-propylpiperazine is CCCOCCN1CC(C)NCC1CCC.
What is the InChIKey of 5-methyl-1-(2-propoxyethyl)-2-propylpiperazine?
The InChIKey is QEPPXEGWFWUKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-6-13-10-14-12(3)11-15(13)7-9-16-8-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 5-methyl-1-(2-propoxyethyl)-2-propylpiperazine?
5-methyl-1-(2-propoxyethyl)-2-propylpiperazine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-propoxyethyl)-2-propylpiperazine is sourced from PubChem (CID 106458506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).