5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine

C17H36N2O — CID 115943623

IUPAC5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(CCOC(C)(C)C)C(C(C)C)CN1
InChIInChI=1S/C17H36N2O/c1-8-14(4)15-12-19(9-10-20-17(5,6)7)16(11-18-15)13(2)3/h13-16,18H,8-12H2,1-7H3
InChIKeyPMYNNOOGENUZPX-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds6

About 5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine

5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine (PubChem CID 115943623) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine
PubChem CID115943623
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(CCOC(C)(C)C)C(C(C)C)CN1
InChIInChI=1S/C17H36N2O/c1-8-14(4)15-12-19(9-10-20-17(5,6)7)16(11-18-15)13(2)3/h13-16,18H,8-12H2,1-7H3
InChIKeyPMYNNOOGENUZPX-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine (CID 115943623) is 5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine is CCC(C)C1CN(CCOC(C)(C)C)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine?
The InChIKey is PMYNNOOGENUZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-8-14(4)15-12-19(9-10-20-17(5,6)7)16(11-18-15)13(2)3/h13-16,18H,8-12H2,1-7H3.
What are the key properties of 5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine?
5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 115943623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).