2,5-ditert-butyl-1-cyclohexylpiperazine

C18H36N2 — CID 82937382

IUPAC2,5-ditert-butyl-1-cyclohexylpiperazine
SMILESCC(C)(C)C1CN(C2CCCCC2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H36N2/c1-17(2,3)15-13-20(14-10-8-7-9-11-14)16(12-19-15)18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyLHWYKHBZRGGAEF-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds1

About 2,5-ditert-butyl-1-cyclohexylpiperazine

2,5-ditert-butyl-1-cyclohexylpiperazine (PubChem CID 82937382) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2,5-ditert-butyl-1-cyclohexylpiperazine.

Molecular Properties

Compound Name2,5-ditert-butyl-1-cyclohexylpiperazine
PubChem CID82937382
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2,5-ditert-butyl-1-cyclohexylpiperazine
SMILESCC(C)(C)C1CN(C2CCCCC2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H36N2/c1-17(2,3)15-13-20(14-10-8-7-9-11-14)16(12-19-15)18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyLHWYKHBZRGGAEF-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1-cyclohexylpiperazine?
The IUPAC name of 2,5-ditert-butyl-1-cyclohexylpiperazine (CID 82937382) is 2,5-ditert-butyl-1-cyclohexylpiperazine.
What is the SMILES notation for 2,5-ditert-butyl-1-cyclohexylpiperazine?
The canonical SMILES for 2,5-ditert-butyl-1-cyclohexylpiperazine is CC(C)(C)C1CN(C2CCCCC2)C(C(C)(C)C)CN1.
What is the InChIKey of 2,5-ditert-butyl-1-cyclohexylpiperazine?
The InChIKey is LHWYKHBZRGGAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-17(2,3)15-13-20(14-10-8-7-9-11-14)16(12-19-15)18(4,5)6/h14-16,19H,7-13H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-1-cyclohexylpiperazine?
2,5-ditert-butyl-1-cyclohexylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1-cyclohexylpiperazine is sourced from PubChem (CID 82937382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).