1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine

C17H36N2O — CID 64842412

IUPAC1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
SMILESCCCCOCCN1CC(C(C)(C)C)NCC1C(C)C
InChIInChI=1S/C17H36N2O/c1-7-8-10-20-11-9-19-13-16(17(4,5)6)18-12-15(19)14(2)3/h14-16,18H,7-13H2,1-6H3
InChIKeyFCADFLHFOWNXKZ-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds7

About 1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine

1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine (PubChem CID 64842412) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
PubChem CID64842412
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
SMILESCCCCOCCN1CC(C(C)(C)C)NCC1C(C)C
InChIInChI=1S/C17H36N2O/c1-7-8-10-20-11-9-19-13-16(17(4,5)6)18-12-15(19)14(2)3/h14-16,18H,7-13H2,1-6H3
InChIKeyFCADFLHFOWNXKZ-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-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
CID 103184526
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64845683
5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008736
4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946962
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
2-butan-2-yl-5-tert-butyl-1-propylpiperazine
CID 64841066
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
1-(2-butoxyethyl)-2-tert-butyl-5-ethylpiperazine
CID 64841177
2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
CID 82947777
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681
5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine
CID 64841456
5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294168

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine (CID 64842412) is 1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine is CCCCOCCN1CC(C(C)(C)C)NCC1C(C)C.
What is the InChIKey of 1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine?
The InChIKey is FCADFLHFOWNXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-8-10-20-11-9-19-13-16(17(4,5)6)18-12-15(19)14(2)3/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine?
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine 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 1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64842412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).