5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine

C17H36N2O — CID 64841627

IUPAC5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCCC1CNC(C(C)(C)C)CN1CCOCCC(C)C
InChIInChI=1S/C17H36N2O/c1-7-15-12-18-16(17(4,5)6)13-19(15)9-11-20-10-8-14(2)3/h14-16,18H,7-13H2,1-6H3
InChIKeySRFKQOJHCXRQII-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds7

About 5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine

5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine (PubChem CID 64841627) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
PubChem CID64841627
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCCC1CNC(C(C)(C)C)CN1CCOCCC(C)C
InChIInChI=1S/C17H36N2O/c1-7-15-12-18-16(17(4,5)6)13-19(15)9-11-20-10-8-14(2)3/h14-16,18H,7-13H2,1-6H3
InChIKeySRFKQOJHCXRQII-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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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine (CID 64841627) is 5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine is CCC1CNC(C(C)(C)C)CN1CCOCCC(C)C.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The InChIKey is SRFKQOJHCXRQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-15-12-18-16(17(4,5)6)13-19(15)9-11-20-10-8-14(2)3/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]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-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine is sourced from PubChem (CID 64841627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).