5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine

C15H30N2O — CID 64936919

IUPAC5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine
SMILESCCC(C)C1CN(C(C)C2CCCO2)C(C)CN1
InChIInChI=1S/C15H30N2O/c1-5-11(2)14-10-17(12(3)9-16-14)13(4)15-7-6-8-18-15/h11-16H,5-10H2,1-4H3
InChIKeyBIDMMRLTABBBRS-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds4

About 5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine

5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine (PubChem CID 64936919) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine
PubChem CID64936919
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine
SMILESCCC(C)C1CN(C(C)C2CCCO2)C(C)CN1
InChIInChI=1S/C15H30N2O/c1-5-11(2)14-10-17(12(3)9-16-14)13(4)15-7-6-8-18-15/h11-16H,5-10H2,1-4H3
InChIKeyBIDMMRLTABBBRS-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine 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-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine (CID 64936919) is 5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine is CCC(C)C1CN(C(C)C2CCCO2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine?
The InChIKey is BIDMMRLTABBBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-11(2)14-10-17(12(3)9-16-14)13(4)15-7-6-8-18-15/h11-16H,5-10H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine?
5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine is sourced from PubChem (CID 64936919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).