1-(oxetan-3-yl)piperazine

C7H14N2O — CID 57416287

IUPAC1-(oxetan-3-yl)piperazine
SMILESC1CN(C2COC2)CCN1
InChIInChI=1S/C7H14N2O/c1-3-9(4-2-8-1)7-5-10-6-7/h7-8H,1-6H2
InChIKeyAOYSLJHKVBSXRU-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.71
Rot. Bonds1

About 1-(oxetan-3-yl)piperazine

1-(oxetan-3-yl)piperazine (PubChem CID 57416287) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(oxetan-3-yl)piperazine
PubChem CID57416287
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(oxetan-3-yl)piperazine
SMILESC1CN(C2COC2)CCN1
InChIInChI=1S/C7H14N2O/c1-3-9(4-2-8-1)7-5-10-6-7/h7-8H,1-6H2
InChIKeyAOYSLJHKVBSXRU-UHFFFAOYSA-N
XLogP-0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)piperazine?
The IUPAC name of 1-(oxetan-3-yl)piperazine (CID 57416287) is 1-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-(oxetan-3-yl)piperazine is C1CN(C2COC2)CCN1.
What is the InChIKey of 1-(oxetan-3-yl)piperazine?
The InChIKey is AOYSLJHKVBSXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-9(4-2-8-1)7-5-10-6-7/h7-8H,1-6H2.
What are the key properties of 1-(oxetan-3-yl)piperazine?
1-(oxetan-3-yl)piperazine has a molecular weight of 142.20 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)piperazine is sourced from PubChem (CID 57416287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).