5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine

C18H36N2 — CID 64842807

IUPAC5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine
SMILESCC(C)CN1CC(C(C)(C)C)NCC1C1CCCCC1
InChIInChI=1S/C18H36N2/c1-14(2)12-20-13-17(18(3,4)5)19-11-16(20)15-9-7-6-8-10-15/h14-17,19H,6-13H2,1-5H3
InChIKeyXUEVUINDFMQOAD-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds3

About 5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine

5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine (PubChem CID 64842807) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine
PubChem CID64842807
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine
SMILESCC(C)CN1CC(C(C)(C)C)NCC1C1CCCCC1
InChIInChI=1S/C18H36N2/c1-14(2)12-20-13-17(18(3,4)5)19-11-16(20)15-9-7-6-8-10-15/h14-17,19H,6-13H2,1-5H3
InChIKeyXUEVUINDFMQOAD-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine?
The IUPAC name of 5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine (CID 64842807) is 5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine is CC(C)CN1CC(C(C)(C)C)NCC1C1CCCCC1.
What is the InChIKey of 5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine?
The InChIKey is XUEVUINDFMQOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(2)12-20-13-17(18(3,4)5)19-11-16(20)15-9-7-6-8-10-15/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine?
5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 64842807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).