2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine

C16H34N2O — CID 106458706

IUPAC2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CC(C)(CC)NCC1C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-7-10-19-11-9-18-13-16(6,8-2)17-12-14(18)15(3,4)5/h14,17H,7-13H2,1-6H3
InChIKeyKXOAQPDBUIRZQG-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds6

About 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine

2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine (PubChem CID 106458706) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine
PubChem CID106458706
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CC(C)(CC)NCC1C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-7-10-19-11-9-18-13-16(6,8-2)17-12-14(18)15(3,4)5/h14,17H,7-13H2,1-6H3
InChIKeyKXOAQPDBUIRZQG-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine (CID 106458706) is 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine is CCCOCCN1CC(C)(CC)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine?
The InChIKey is KXOAQPDBUIRZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-10-19-11-9-18-13-16(6,8-2)17-12-14(18)15(3,4)5/h14,17H,7-13H2,1-6H3.
What are the key properties of 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine?
2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine is sourced from PubChem (CID 106458706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).