2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine

C12H26N2O — CID 64939101

IUPAC2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1CCCCOC
InChIInChI=1S/C12H26N2O/c1-4-12-9-13-11(2)10-14(12)7-5-6-8-15-3/h11-13H,4-10H2,1-3H3
InChIKeyKVJQIIRERLSXJY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About 2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine

2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine (PubChem CID 64939101) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine
PubChem CID64939101
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1CCCCOC
InChIInChI=1S/C12H26N2O/c1-4-12-9-13-11(2)10-14(12)7-5-6-8-15-3/h11-13H,4-10H2,1-3H3
InChIKeyKVJQIIRERLSXJY-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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

2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81112995
3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936336
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-2-propylpiperazine
CID 104567840
2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine
CID 103414098
2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine
CID 79224352
1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
CID 64846136
1-(3-fluoropropyl)-5-methyl-2-propylpiperazine
CID 81113110
1-[(E)-but-2-enyl]-2-ethyl-5-methylpiperazine
CID 107897884
5-methyl-1-(2-propoxyethyl)-2-propylpiperazine
CID 106458506
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
CID 104650200
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
2-cyclopropyl-1-(2-methoxyethyl)-5-methylpiperazine
CID 64845102

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine?
The IUPAC name of 2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine (CID 64939101) is 2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine.
What is the SMILES notation for 2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine?
The canonical SMILES for 2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine is CCC1CNC(C)CN1CCCCOC.
What is the InChIKey of 2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine?
The InChIKey is KVJQIIRERLSXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12-9-13-11(2)10-14(12)7-5-6-8-15-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine?
2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine is sourced from PubChem (CID 64939101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).