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

C16H34N2O — CID 106008717

IUPAC5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
SMILESCCC1CN(CCCCOC(C)C)C(C(C)C)CN1
InChIInChI=1S/C16H34N2O/c1-6-15-12-18(16(11-17-15)13(2)3)9-7-8-10-19-14(4)5/h13-17H,6-12H2,1-5H3
InChIKeyXLINWPCQKRFVHP-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

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

5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine (PubChem CID 106008717) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
PubChem CID106008717
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
SMILESCCC1CN(CCCCOC(C)C)C(C(C)C)CN1
InChIInChI=1S/C16H34N2O/c1-6-15-12-18(16(11-17-15)13(2)3)9-7-8-10-19-14(4)5/h13-17H,6-12H2,1-5H3
InChIKeyXLINWPCQKRFVHP-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
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-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008736
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
CID 104650200
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine
CID 113488310
5-ethyl-2-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64841710
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740
2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64843102

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
The IUPAC name of 5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine (CID 106008717) is 5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine.
What is the SMILES notation for 5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
The canonical SMILES for 5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine is CCC1CN(CCCCOC(C)C)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
The InChIKey is XLINWPCQKRFVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-15-12-18(16(11-17-15)13(2)3)9-7-8-10-19-14(4)5/h13-17H,6-12H2,1-5H3.
What are the key properties of 5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine is sourced from PubChem (CID 106008717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).