4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine

C17H24FN3O3 — CID 137370781

IUPAC4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine
SMILESO=[N+]([O-])c1cc(CCN2CCOCC2)c(F)cc1N1CCCCC1
InChIInChI=1S/C17H24FN3O3/c18-15-13-16(20-5-2-1-3-6-20)17(21(22)23)12-14(15)4-7-19-8-10-24-11-9-19/h12-13H,1-11H2
InChIKeyXQGFKVVUPQQKQZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine

4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine (PubChem CID 137370781) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine
PubChem CID137370781
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine
SMILESO=[N+]([O-])c1cc(CCN2CCOCC2)c(F)cc1N1CCCCC1
InChIInChI=1S/C17H24FN3O3/c18-15-13-16(20-5-2-1-3-6-20)17(21(22)23)12-14(15)4-7-19-8-10-24-11-9-19/h12-13H,1-11H2
InChIKeyXQGFKVVUPQQKQZ-UHFFFAOYSA-N
XLogP2.60
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine
CID 2872322
2-fluoro-5-nitro-4-pyrrolidin-1-ylbenzaldehyde
CID 118226277
4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine
CID 23852668
2-fluoro-5-morpholin-4-yl-4-nitrobenzoic acid
CID 104699515
1-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)-4-methylpiperazine
CID 2929478
1-ethyl-4-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)piperazine
CID 12005086
1-(2-fluoro-4-nitro-5-piperazin-1-ylphenyl)azepane
CID 2929455
CID 161011543
CID 161011543
4-[4-[3-(4-methylpiperazin-1-yl)propyl]-2-nitrophenyl]morpholine
CID 170863085
1-(4-chloro-2-nitrophenyl)piperidine
CID 160686778
1-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidine
CID 39732315
4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2871883

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine?
The IUPAC name of 4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine (CID 137370781) is 4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine is O=[N+]([O-])c1cc(CCN2CCOCC2)c(F)cc1N1CCCCC1.
What is the InChIKey of 4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine?
The InChIKey is XQGFKVVUPQQKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c18-15-13-16(20-5-2-1-3-6-20)17(21(22)23)12-14(15)4-7-19-8-10-24-11-9-19/h12-13H,1-11H2.
What are the key properties of 4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine?
4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine has a molecular weight of 337.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine is sourced from PubChem (CID 137370781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).