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

C17H36N2O — CID 115943612

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(CCOC(C)(C)C)C(C(C)C)CN1
InChIInChI=1S/C17H36N2O/c1-13(2)10-15-12-19(8-9-20-17(5,6)7)16(11-18-15)14(3)4/h13-16,18H,8-12H2,1-7H3
InChIKeyILFFGJCNUFROBK-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds6

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

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine (PubChem CID 115943612) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
PubChem CID115943612
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(CCOC(C)(C)C)C(C(C)C)CN1
InChIInChI=1S/C17H36N2O/c1-13(2)10-15-12-19(8-9-20-17(5,6)7)16(11-18-15)14(3)4/h13-16,18H,8-12H2,1-7H3
InChIKeyILFFGJCNUFROBK-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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Related Compounds

5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine
CID 115943623
5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64848157
N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine
CID 64933854
2-butan-2-yl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592031
1-(cyclobutylmethyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64934807
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64848161
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775
2-tert-butyl-5-(2-methylpropyl)-1-propylpiperazine
CID 64849135
5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016459
2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine
CID 64850100
2-tert-butyl-1-(3-ethoxypropyl)-5-(2-methylpropyl)piperazine
CID 65178297
5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 64849123

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine (CID 115943612) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine is CC(C)CC1CN(CCOC(C)(C)C)C(C(C)C)CN1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is ILFFGJCNUFROBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-13(2)10-15-12-19(8-9-20-17(5,6)7)16(11-18-15)14(3)4/h13-16,18H,8-12H2,1-7H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-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 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 115943612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).