4-(3-morpholin-4-yl-4-nitrophenyl)morpholine

C14H19N3O4 — CID 2829644

IUPAC4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C14H19N3O4/c18-17(19)13-2-1-12(15-3-7-20-8-4-15)11-14(13)16-5-9-21-10-6-16/h1-2,11H,3-10H2
InChIKeyJHXWNZPLYVFBSY-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.27
Rot. Bonds3

About 4-(3-morpholin-4-yl-4-nitrophenyl)morpholine

4-(3-morpholin-4-yl-4-nitrophenyl)morpholine (PubChem CID 2829644) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(3-morpholin-4-yl-4-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
PubChem CID2829644
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C14H19N3O4/c18-17(19)13-2-1-12(15-3-7-20-8-4-15)11-14(13)16-5-9-21-10-6-16/h1-2,11H,3-10H2
InChIKeyJHXWNZPLYVFBSY-UHFFFAOYSA-N
XLogP1.27
TPSA68.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.27
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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Related Compounds

4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
CID 17354179
4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine
CID 2866183
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
4-[5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitrophenyl]morpholine
CID 7279316
1-methyl-4-[3-(4-methylpiperazin-1-yl)-4-nitrophenyl]piperazine
CID 2888142
N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]acetamide
CID 5104311
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336
[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 4282035
4-(2-nitro-5-propan-2-ylphenyl)morpholine
CID 155136667
(3-chloro-4-methylphenyl)-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]methanone
CID 2969436
1-morpholin-4-yl-2-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 2867505
N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]benzamide
CID 5156188

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-yl-4-nitrophenyl)morpholine?
The IUPAC name of 4-(3-morpholin-4-yl-4-nitrophenyl)morpholine (CID 2829644) is 4-(3-morpholin-4-yl-4-nitrophenyl)morpholine.
What is the SMILES notation for 4-(3-morpholin-4-yl-4-nitrophenyl)morpholine?
The canonical SMILES for 4-(3-morpholin-4-yl-4-nitrophenyl)morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of 4-(3-morpholin-4-yl-4-nitrophenyl)morpholine?
The InChIKey is JHXWNZPLYVFBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-17(19)13-2-1-12(15-3-7-20-8-4-15)11-14(13)16-5-9-21-10-6-16/h1-2,11H,3-10H2.
What are the key properties of 4-(3-morpholin-4-yl-4-nitrophenyl)morpholine?
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine has a molecular weight of 293.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-yl-4-nitrophenyl)morpholine is sourced from PubChem (CID 2829644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).