piperazine;2H-pyran

C9H16N2O — CID 157164765

IUPACpiperazine;2H-pyran
SMILESC1=CCOC=C1.C1CNCCN1
InChIInChI=1S/C5H6O.C4H10N2/c1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-4H,5H2;5-6H,1-4H2
InChIKeyAMTXKWBKZSROBK-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.27
Rot. Bonds

About piperazine;2H-pyran

piperazine;2H-pyran (PubChem CID 157164765) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is piperazine;2H-pyran.

Molecular Properties

Compound Namepiperazine;2H-pyran
PubChem CID157164765
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Namepiperazine;2H-pyran
SMILESC1=CCOC=C1.C1CNCCN1
InChIInChI=1S/C5H6O.C4H10N2/c1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-4H,5H2;5-6H,1-4H2
InChIKeyAMTXKWBKZSROBK-UHFFFAOYSA-N
XLogP0.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazine;2H-pyran?
The IUPAC name of piperazine;2H-pyran (CID 157164765) is piperazine;2H-pyran.
What is the SMILES notation for piperazine;2H-pyran?
The canonical SMILES for piperazine;2H-pyran is C1=CCOC=C1.C1CNCCN1.
What is the InChIKey of piperazine;2H-pyran?
The InChIKey is AMTXKWBKZSROBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.C4H10N2/c1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-4H,5H2;5-6H,1-4H2.
What are the key properties of piperazine;2H-pyran?
piperazine;2H-pyran has a molecular weight of 168.24 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;2H-pyran is sourced from PubChem (CID 157164765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).