3,3-dimethyl-1-(oxetan-3-yl)piperazine

C9H18N2O — CID 67492262

IUPAC3,3-dimethyl-1-(oxetan-3-yl)piperazine
SMILESCC1(C)CN(C2COC2)CCN1
InChIInChI=1S/C9H18N2O/c1-9(2)7-11(4-3-10-9)8-5-12-6-8/h8,10H,3-7H2,1-2H3
InChIKeyLFQGZLCFSVPTGJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds1

About 3,3-dimethyl-1-(oxetan-3-yl)piperazine

3,3-dimethyl-1-(oxetan-3-yl)piperazine (PubChem CID 67492262) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(oxetan-3-yl)piperazine
PubChem CID67492262
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3,3-dimethyl-1-(oxetan-3-yl)piperazine
SMILESCC1(C)CN(C2COC2)CCN1
InChIInChI=1S/C9H18N2O/c1-9(2)7-11(4-3-10-9)8-5-12-6-8/h8,10H,3-7H2,1-2H3
InChIKeyLFQGZLCFSVPTGJ-UHFFFAOYSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-(oxetan-3-yl)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 3,3-dimethyl-1-(oxetan-3-yl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(oxetan-3-yl)piperazine (CID 67492262) is 3,3-dimethyl-1-(oxetan-3-yl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(oxetan-3-yl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(oxetan-3-yl)piperazine is CC1(C)CN(C2COC2)CCN1.
What is the InChIKey of 3,3-dimethyl-1-(oxetan-3-yl)piperazine?
The InChIKey is LFQGZLCFSVPTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2)7-11(4-3-10-9)8-5-12-6-8/h8,10H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(oxetan-3-yl)piperazine?
3,3-dimethyl-1-(oxetan-3-yl)piperazine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(oxetan-3-yl)piperazine is sourced from PubChem (CID 67492262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).