1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine

C13H24N2O2 — CID 116873103

IUPAC1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine
SMILESC1CN(CC2(C3CCOCC3)COC2)CCN1
InChIInChI=1S/C13H24N2O2/c1-7-16-8-2-12(1)13(10-17-11-13)9-15-5-3-14-4-6-15/h12,14H,1-11H2
InChIKeyGQSNEQAJUYGGDU-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.33
Rot. Bonds3

About 1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine

1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine (PubChem CID 116873103) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine
PubChem CID116873103
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine
SMILESC1CN(CC2(C3CCOCC3)COC2)CCN1
InChIInChI=1S/C13H24N2O2/c1-7-16-8-2-12(1)13(10-17-11-13)9-15-5-3-14-4-6-15/h12,14H,1-11H2
InChIKeyGQSNEQAJUYGGDU-UHFFFAOYSA-N
XLogP0.33
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine
CID 116873116
1-[2-(3-cyclobutyloxetan-3-yl)ethyl]piperazine
CID 116873120
3a-(morpholin-4-ylmethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 172642973
1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine
CID 62990691
1-[1-(3-cyclobutyloxetan-3-yl)propan-2-yl]piperazine
CID 116875640
1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640
2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine
CID 116874182
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine
CID 116840550
N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine
CID 116870175
6,6-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 115100731
1-[[4-(oxan-4-yl)phenyl]methyl]piperazine
CID 117405519

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine?
The IUPAC name of 1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine (CID 116873103) is 1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine is C1CN(CC2(C3CCOCC3)COC2)CCN1.
What is the InChIKey of 1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine?
The InChIKey is GQSNEQAJUYGGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-7-16-8-2-12(1)13(10-17-11-13)9-15-5-3-14-4-6-15/h12,14H,1-11H2.
What are the key properties of 1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine?
1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine has a molecular weight of 240.35 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine is sourced from PubChem (CID 116873103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).