4-piperazin-1-ylmorpholine

C8H17N3O — CID 2760466

IUPAC4-piperazin-1-ylmorpholine
SMILESC1CN(N2CCOCC2)CCN1
InChIInChI=1S/C8H17N3O/c1-3-10(4-2-9-1)11-5-7-12-8-6-11/h9H,1-8H2
InChIKeyNZUUXQSBKZPFKK-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.86
Rot. Bonds1

About 4-piperazin-1-ylmorpholine

4-piperazin-1-ylmorpholine (PubChem CID 2760466) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-piperazin-1-ylmorpholine.

Molecular Properties

Compound Name4-piperazin-1-ylmorpholine
PubChem CID2760466
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-piperazin-1-ylmorpholine
SMILESC1CN(N2CCOCC2)CCN1
InChIInChI=1S/C8H17N3O/c1-3-10(4-2-9-1)11-5-7-12-8-6-11/h9H,1-8H2
InChIKeyNZUUXQSBKZPFKK-UHFFFAOYSA-N
XLogP-0.86
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylmorpholine?
The IUPAC name of 4-piperazin-1-ylmorpholine (CID 2760466) is 4-piperazin-1-ylmorpholine.
What is the SMILES notation for 4-piperazin-1-ylmorpholine?
The canonical SMILES for 4-piperazin-1-ylmorpholine is C1CN(N2CCOCC2)CCN1.
What is the InChIKey of 4-piperazin-1-ylmorpholine?
The InChIKey is NZUUXQSBKZPFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-10(4-2-9-1)11-5-7-12-8-6-11/h9H,1-8H2.
What are the key properties of 4-piperazin-1-ylmorpholine?
4-piperazin-1-ylmorpholine has a molecular weight of 171.24 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylmorpholine is sourced from PubChem (CID 2760466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).