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

C17H34N2O — CID 64934445

IUPAC5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(C(C)C2CCCO2)C(C(C)C)CN1
InChIInChI=1S/C17H34N2O/c1-12(2)9-15-11-19(16(10-18-15)13(3)4)14(5)17-7-6-8-20-17/h12-18H,6-11H2,1-5H3
InChIKeyRGAPCNOTUXISTA-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds5

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

5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine (PubChem CID 64934445) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
PubChem CID64934445
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(C(C)C2CCCO2)C(C(C)C)CN1
InChIInChI=1S/C17H34N2O/c1-12(2)9-15-11-19(16(10-18-15)13(3)4)14(5)17-7-6-8-20-17/h12-18H,6-11H2,1-5H3
InChIKeyRGAPCNOTUXISTA-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine (CID 64934445) is 5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine is CC(C)CC1CN(C(C)C2CCCO2)C(C(C)C)CN1.
What is the InChIKey of 5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is RGAPCNOTUXISTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-12(2)9-15-11-19(16(10-18-15)13(3)4)14(5)17-7-6-8-20-17/h12-18H,6-11H2,1-5H3.
What are the key properties of 5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64934445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).