oxane;piperazine

C14H30N2O2 — CID 20521858

IUPACoxane;piperazine
SMILESC1CCOCC1.C1CCOCC1.C1CNCCN1
InChIInChI=1S/2C5H10O.C4H10N2/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1/h2*1-5H2;5-6H,1-4H2
InChIKeyOGIGSSVJVHQGGQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.55
Rot. Bonds

About oxane;piperazine

oxane;piperazine (PubChem CID 20521858) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is oxane;piperazine.

Molecular Properties

Compound Nameoxane;piperazine
PubChem CID20521858
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nameoxane;piperazine
SMILESC1CCOCC1.C1CCOCC1.C1CNCCN1
InChIInChI=1S/2C5H10O.C4H10N2/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1/h2*1-5H2;5-6H,1-4H2
InChIKeyOGIGSSVJVHQGGQ-UHFFFAOYSA-N
XLogP1.55
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxane;piperazine?
The IUPAC name of oxane;piperazine (CID 20521858) is oxane;piperazine.
What is the SMILES notation for oxane;piperazine?
The canonical SMILES for oxane;piperazine is C1CCOCC1.C1CCOCC1.C1CNCCN1.
What is the InChIKey of oxane;piperazine?
The InChIKey is OGIGSSVJVHQGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O.C4H10N2/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1/h2*1-5H2;5-6H,1-4H2.
What are the key properties of oxane;piperazine?
oxane;piperazine has a molecular weight of 258.41 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxane;piperazine is sourced from PubChem (CID 20521858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).