5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine

C15H32N2O — CID 114944393

IUPAC5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine
SMILESCCOC(C)(C)CN1CC(C(C)(C)C)NCC1C
InChIInChI=1S/C15H32N2O/c1-8-18-15(6,7)11-17-10-13(14(3,4)5)16-9-12(17)2/h12-13,16H,8-11H2,1-7H3
InChIKeyMOFKPVXEDFJHKO-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds4

About 5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine

5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine (PubChem CID 114944393) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine
PubChem CID114944393
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine
SMILESCCOC(C)(C)CN1CC(C(C)(C)C)NCC1C
InChIInChI=1S/C15H32N2O/c1-8-18-15(6,7)11-17-10-13(14(3,4)5)16-9-12(17)2/h12-13,16H,8-11H2,1-7H3
InChIKeyMOFKPVXEDFJHKO-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine (CID 114944393) is 5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine is CCOC(C)(C)CN1CC(C(C)(C)C)NCC1C.
What is the InChIKey of 5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine?
The InChIKey is MOFKPVXEDFJHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-8-18-15(6,7)11-17-10-13(14(3,4)5)16-9-12(17)2/h12-13,16H,8-11H2,1-7H3.
What are the key properties of 5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine?
5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine is sourced from PubChem (CID 114944393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).