2-tert-butyl-5-(cyclobutylmethoxy)piperazine

C13H26N2O — CID 154601187

IUPAC2-tert-butyl-5-(cyclobutylmethoxy)piperazine
SMILESCC(C)(C)C1CNC(OCC2CCC2)CN1
InChIInChI=1S/C13H26N2O/c1-13(2,3)11-7-15-12(8-14-11)16-9-10-5-4-6-10/h10-12,14-15H,4-9H2,1-3H3
InChIKeyHBXSLJDJFHHUKN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.74
Rot. Bonds3

About 2-tert-butyl-5-(cyclobutylmethoxy)piperazine

2-tert-butyl-5-(cyclobutylmethoxy)piperazine (PubChem CID 154601187) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-tert-butyl-5-(cyclobutylmethoxy)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-(cyclobutylmethoxy)piperazine
PubChem CID154601187
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-tert-butyl-5-(cyclobutylmethoxy)piperazine
SMILESCC(C)(C)C1CNC(OCC2CCC2)CN1
InChIInChI=1S/C13H26N2O/c1-13(2,3)11-7-15-12(8-14-11)16-9-10-5-4-6-10/h10-12,14-15H,4-9H2,1-3H3
InChIKeyHBXSLJDJFHHUKN-UHFFFAOYSA-N
XLogP1.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(cyclobutylmethoxy)piperazine?
The IUPAC name of 2-tert-butyl-5-(cyclobutylmethoxy)piperazine (CID 154601187) is 2-tert-butyl-5-(cyclobutylmethoxy)piperazine.
What is the SMILES notation for 2-tert-butyl-5-(cyclobutylmethoxy)piperazine?
The canonical SMILES for 2-tert-butyl-5-(cyclobutylmethoxy)piperazine is CC(C)(C)C1CNC(OCC2CCC2)CN1.
What is the InChIKey of 2-tert-butyl-5-(cyclobutylmethoxy)piperazine?
The InChIKey is HBXSLJDJFHHUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)11-7-15-12(8-14-11)16-9-10-5-4-6-10/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(cyclobutylmethoxy)piperazine?
2-tert-butyl-5-(cyclobutylmethoxy)piperazine has a molecular weight of 226.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(cyclobutylmethoxy)piperazine is sourced from PubChem (CID 154601187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).