2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine

C15H32N2O — CID 64848895

IUPAC2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine
SMILESCCOCCN1CC(C)(CC)NCC1C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-7-15(6)12-17(9-10-18-8-2)13(11-16-15)14(3,4)5/h13,16H,7-12H2,1-6H3
InChIKeyUUYWPGFQEIZITQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds5

About 2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine

2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine (PubChem CID 64848895) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine
PubChem CID64848895
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine
SMILESCCOCCN1CC(C)(CC)NCC1C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-7-15(6)12-17(9-10-18-8-2)13(11-16-15)14(3,4)5/h13,16H,7-12H2,1-6H3
InChIKeyUUYWPGFQEIZITQ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine?
The IUPAC name of 2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine (CID 64848895) is 2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine is CCOCCN1CC(C)(CC)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine?
The InChIKey is UUYWPGFQEIZITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-7-15(6)12-17(9-10-18-8-2)13(11-16-15)14(3,4)5/h13,16H,7-12H2,1-6H3.
What are the key properties of 2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine?
2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine is sourced from PubChem (CID 64848895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).