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

C15H20FN3O3 — CID 2872322

IUPAC4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine
SMILESO=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCOCC1
InChIInChI=1S/C15H20FN3O3/c16-12-10-15(19(20)21)14(18-6-8-22-9-7-18)11-13(12)17-4-2-1-3-5-17/h10-11H,1-9H2
InChIKeyLRFVMXSVLPIEKG-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.56
Rot. Bonds3

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

4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine (PubChem CID 2872322) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine
PubChem CID2872322
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine
SMILESO=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCOCC1
InChIInChI=1S/C15H20FN3O3/c16-12-10-15(19(20)21)14(18-6-8-22-9-7-18)11-13(12)17-4-2-1-3-5-17/h10-11H,1-9H2
InChIKeyLRFVMXSVLPIEKG-UHFFFAOYSA-N
XLogP2.56
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.56
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

1-(2-fluoro-4-nitro-5-piperazin-1-ylphenyl)azepane
CID 2929455
4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2871883
1-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)-4-methylpiperazine
CID 2929478
2-fluoro-5-morpholin-4-yl-4-nitrobenzoic acid
CID 104699515
1-ethyl-4-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)piperazine
CID 12005086
4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine
CID 137370781
(2,3-difluorophenyl)-[4-(4-fluoro-5-morpholin-4-yl-2-nitrophenyl)piperazin-1-yl]methanone
CID 2877297
methyl 2-fluoro-5-morpholin-4-yl-4-nitrobenzoate
CID 104699514
1-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 2885410
(2-chloro-5,6-difluoro-3-methylphenyl)-[4-(4-fluoro-5-morpholin-4-yl-2-nitrophenyl)piperazin-1-yl]methanone
CID 2881713
2-fluoro-5-nitro-4-pyrrolidin-1-ylbenzaldehyde
CID 118226277
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine?
The IUPAC name of 4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine (CID 2872322) is 4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine.
What is the SMILES notation for 4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine?
The canonical SMILES for 4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine is O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCOCC1.
What is the InChIKey of 4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine?
The InChIKey is LRFVMXSVLPIEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c16-12-10-15(19(20)21)14(18-6-8-22-9-7-18)11-13(12)17-4-2-1-3-5-17/h10-11H,1-9H2.
What are the key properties of 4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine?
4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine has a molecular weight of 309.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine is sourced from PubChem (CID 2872322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).