2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine

C14H28N2O — CID 64842925

IUPAC2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine
SMILESCCC1CN(C2CCOC2)C(C(C)(C)C)CN1
InChIInChI=1S/C14H28N2O/c1-5-11-9-16(12-6-7-17-10-12)13(8-15-11)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyLBHIKTYLJHVUKL-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds2

About 2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine

2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine (PubChem CID 64842925) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine
PubChem CID64842925
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine
SMILESCCC1CN(C2CCOC2)C(C(C)(C)C)CN1
InChIInChI=1S/C14H28N2O/c1-5-11-9-16(12-6-7-17-10-12)13(8-15-11)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyLBHIKTYLJHVUKL-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine (CID 64842925) is 2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine is CCC1CN(C2CCOC2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine?
The InChIKey is LBHIKTYLJHVUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-11-9-16(12-6-7-17-10-12)13(8-15-11)14(2,3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine?
2-tert-butyl-5-ethyl-1-(oxolan-3-yl)piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 2 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-1-(oxolan-3-yl)piperazine is sourced from PubChem (CID 64842925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).