5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine

C17H36N2O2 — CID 103184549

IUPAC5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine
SMILESCCC1(C)CN(CCOCCCOC)C(CC(C)C)CN1
InChIInChI=1S/C17H36N2O2/c1-6-17(4)14-19(8-11-21-10-7-9-20-5)16(13-18-17)12-15(2)3/h15-16,18H,6-14H2,1-5H3
InChIKeyHZKQCBUMDBGTLA-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.53
Rot. Bonds10

About 5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine

5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 103184549) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID103184549
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine
SMILESCCC1(C)CN(CCOCCCOC)C(CC(C)C)CN1
InChIInChI=1S/C17H36N2O2/c1-6-17(4)14-19(8-11-21-10-7-9-20-5)16(13-18-17)12-15(2)3/h15-16,18H,6-14H2,1-5H3
InChIKeyHZKQCBUMDBGTLA-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methylpiperazine
CID 104567913
5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine
CID 115518989
1-(cyclobutylmethyl)-5-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 65463085
5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 82924886
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304
5,5-diethyl-2-(2-methylpropyl)-1-(2-propan-2-yloxyethyl)piperazine
CID 64860823
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64838733
1-(2-butoxyethyl)-5,5-dimethyl-2-propylpiperazine
CID 64840075
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 103184536
4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 65178246
1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine (CID 103184549) is 5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine is CCC1(C)CN(CCOCCCOC)C(CC(C)C)CN1.
What is the InChIKey of 5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is HZKQCBUMDBGTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-6-17(4)14-19(8-11-21-10-7-9-20-5)16(13-18-17)12-15(2)3/h15-16,18H,6-14H2,1-5H3.
What are the key properties of 5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine?
5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 300.49 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 103184549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).