5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine

C17H36N2O — CID 65177639

IUPAC5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
SMILESCCOCCCN1CC(C(C)CC)NCC1C(C)(C)C
InChIInChI=1S/C17H36N2O/c1-7-14(3)15-13-19(10-9-11-20-8-2)16(12-18-15)17(4,5)6/h14-16,18H,7-13H2,1-6H3
InChIKeyWIGYARIIYMZNNF-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds7

About 5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine

5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine (PubChem CID 65177639) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
PubChem CID65177639
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
SMILESCCOCCCN1CC(C(C)CC)NCC1C(C)(C)C
InChIInChI=1S/C17H36N2O/c1-7-14(3)15-13-19(10-9-11-20-8-2)16(12-18-15)17(4,5)6/h14-16,18H,7-13H2,1-6H3
InChIKeyWIGYARIIYMZNNF-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
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-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458682
2-tert-butyl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64838851
5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518965
2-tert-butyl-1-(3-ethoxypropyl)-5-(2-methylpropyl)piperazine
CID 65178297
5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64847087
5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine
CID 65462273
2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64839227
5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414273
5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184537
5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64849403
5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine
CID 64847284
5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine
CID 115943623

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine (CID 65177639) is 5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine is CCOCCCN1CC(C(C)CC)NCC1C(C)(C)C.
What is the InChIKey of 5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine?
The InChIKey is WIGYARIIYMZNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-14(3)15-13-19(10-9-11-20-8-2)16(12-18-15)17(4,5)6/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine?
5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine is sourced from PubChem (CID 65177639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).