4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine

C15H21N3O4 — CID 768573

IUPAC4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine
SMILESO=[N+]([O-])c1ccccc1C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C15H21N3O4/c19-18(20)14-4-2-1-3-13(14)15(16-5-9-21-10-6-16)17-7-11-22-12-8-17/h1-4,15H,5-12H2
InChIKeyIEYBAOAAQGKTMF-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.26
Rot. Bonds4

About 4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine

4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine (PubChem CID 768573) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine
PubChem CID768573
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine
SMILESO=[N+]([O-])c1ccccc1C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C15H21N3O4/c19-18(20)14-4-2-1-3-13(14)15(16-5-9-21-10-6-16)17-7-11-22-12-8-17/h1-4,15H,5-12H2
InChIKeyIEYBAOAAQGKTMF-UHFFFAOYSA-N
XLogP1.26
TPSA68.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine?
The IUPAC name of 4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine (CID 768573) is 4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine.
What is the SMILES notation for 4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine?
The canonical SMILES for 4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine is O=[N+]([O-])c1ccccc1C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine?
The InChIKey is IEYBAOAAQGKTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-18(20)14-4-2-1-3-13(14)15(16-5-9-21-10-6-16)17-7-11-22-12-8-17/h1-4,15H,5-12H2.
What are the key properties of 4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine?
4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine has a molecular weight of 307.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[morpholin-4-yl-(2-nitrophenyl)methyl]morpholine is sourced from PubChem (CID 768573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).