5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine

C17H36N2O — CID 106008842

IUPAC5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
SMILESCCC1(C)CN(CCCCOC(C)C)C(C(C)C)CN1
InChIInChI=1S/C17H36N2O/c1-7-17(6)13-19(16(12-18-17)14(2)3)10-8-9-11-20-15(4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyIXPXLFSSSHMZQN-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds8

About 5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine

5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine (PubChem CID 106008842) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
PubChem CID106008842
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
SMILESCCC1(C)CN(CCCCOC(C)C)C(C(C)C)CN1
InChIInChI=1S/C17H36N2O/c1-7-17(6)13-19(16(12-18-17)14(2)3)10-8-9-11-20-15(4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyIXPXLFSSSHMZQN-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
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

5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
CID 64847163
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
5-ethyl-2,5-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64847117
5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
CID 64847525
2-tert-butyl-5-ethyl-5-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64848897
5-ethyl-5-methyl-1-[3-(oxolan-2-yl)propyl]-2-propan-2-ylpiperazine
CID 65170433
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
The IUPAC name of 5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine (CID 106008842) is 5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine.
What is the SMILES notation for 5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
The canonical SMILES for 5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine is CCC1(C)CN(CCCCOC(C)C)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
The InChIKey is IXPXLFSSSHMZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-17(6)13-19(16(12-18-17)14(2)3)10-8-9-11-20-15(4)5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine is sourced from PubChem (CID 106008842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).