4-[5-(4-nitrophenoxy)pentyl]morpholine

C15H22N2O4 — CID 2238007

IUPAC4-[5-(4-nitrophenoxy)pentyl]morpholine
SMILESO=[N+]([O-])c1ccc(OCCCCCN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O4/c18-17(19)14-4-6-15(7-5-14)21-11-3-1-2-8-16-9-12-20-13-10-16/h4-7H,1-3,8-13H2
InChIKeyQTKPBWWPUDOQGJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.48
Rot. Bonds8

About 4-[5-(4-nitrophenoxy)pentyl]morpholine

4-[5-(4-nitrophenoxy)pentyl]morpholine (PubChem CID 2238007) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[5-(4-nitrophenoxy)pentyl]morpholine.

Molecular Properties

Compound Name4-[5-(4-nitrophenoxy)pentyl]morpholine
PubChem CID2238007
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[5-(4-nitrophenoxy)pentyl]morpholine
SMILESO=[N+]([O-])c1ccc(OCCCCCN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O4/c18-17(19)14-4-6-15(7-5-14)21-11-3-1-2-8-16-9-12-20-13-10-16/h4-7H,1-3,8-13H2
InChIKeyQTKPBWWPUDOQGJ-UHFFFAOYSA-N
XLogP2.48
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-nitrophenoxy)pentyl]morpholine?
The IUPAC name of 4-[5-(4-nitrophenoxy)pentyl]morpholine (CID 2238007) is 4-[5-(4-nitrophenoxy)pentyl]morpholine.
What is the SMILES notation for 4-[5-(4-nitrophenoxy)pentyl]morpholine?
The canonical SMILES for 4-[5-(4-nitrophenoxy)pentyl]morpholine is O=[N+]([O-])c1ccc(OCCCCCN2CCOCC2)cc1.
What is the InChIKey of 4-[5-(4-nitrophenoxy)pentyl]morpholine?
The InChIKey is QTKPBWWPUDOQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-17(19)14-4-6-15(7-5-14)21-11-3-1-2-8-16-9-12-20-13-10-16/h4-7H,1-3,8-13H2.
What are the key properties of 4-[5-(4-nitrophenoxy)pentyl]morpholine?
4-[5-(4-nitrophenoxy)pentyl]morpholine has a molecular weight of 294.35 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-nitrophenoxy)pentyl]morpholine is sourced from PubChem (CID 2238007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).