ethane;1-(oxetan-3-yl)piperazine

C9H20N2O — CID 142501186

IUPACethane;1-(oxetan-3-yl)piperazine
SMILESC1CN(C2COC2)CCN1.CC
InChIInChI=1S/C7H14N2O.C2H6/c1-3-9(4-2-8-1)7-5-10-6-7;1-2/h7-8H,1-6H2;1-2H3
InChIKeyFLNOMFCZKQWOJE-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds1

About ethane;1-(oxetan-3-yl)piperazine

ethane;1-(oxetan-3-yl)piperazine (PubChem CID 142501186) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;1-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Nameethane;1-(oxetan-3-yl)piperazine
PubChem CID142501186
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;1-(oxetan-3-yl)piperazine
SMILESC1CN(C2COC2)CCN1.CC
InChIInChI=1S/C7H14N2O.C2H6/c1-3-9(4-2-8-1)7-5-10-6-7;1-2/h7-8H,1-6H2;1-2H3
InChIKeyFLNOMFCZKQWOJE-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(oxetan-3-yl)piperazine?
The IUPAC name of ethane;1-(oxetan-3-yl)piperazine (CID 142501186) is ethane;1-(oxetan-3-yl)piperazine.
What is the SMILES notation for ethane;1-(oxetan-3-yl)piperazine?
The canonical SMILES for ethane;1-(oxetan-3-yl)piperazine is C1CN(C2COC2)CCN1.CC.
What is the InChIKey of ethane;1-(oxetan-3-yl)piperazine?
The InChIKey is FLNOMFCZKQWOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-3-9(4-2-8-1)7-5-10-6-7;1-2/h7-8H,1-6H2;1-2H3.
What are the key properties of ethane;1-(oxetan-3-yl)piperazine?
ethane;1-(oxetan-3-yl)piperazine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(oxetan-3-yl)piperazine is sourced from PubChem (CID 142501186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).