4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine

C17H23FN2O3 — CID 133278337

IUPAC4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C17H23FN2O3/c18-15-7-4-8-16(17(15)20(21)22)19-11-9-14(10-12-19)23-13-5-2-1-3-6-13/h4,7-8,13-14H,1-3,5-6,9-12H2
InChIKeyLOQSTBNQXSDERS-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.05
Rot. Bonds4

About 4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine

4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine (PubChem CID 133278337) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine
PubChem CID133278337
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C17H23FN2O3/c18-15-7-4-8-16(17(15)20(21)22)19-11-9-14(10-12-19)23-13-5-2-1-3-6-13/h4,7-8,13-14H,1-3,5-6,9-12H2
InChIKeyLOQSTBNQXSDERS-UHFFFAOYSA-N
XLogP4.05
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine
CID 133345786
1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone
CID 133278302
1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine
CID 133278276
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
1-(3-fluoro-2-nitrophenyl)piperazine
CID 53255788
4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 62689125
1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62689473
1-(3-fluoro-2-nitrophenyl)-4-(1-methylpiperidin-3-yl)piperazine
CID 133315610
1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 62663626
4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine
CID 63171297
ethyl 1-(3-fluoro-2-nitrophenyl)piperidine-2-carboxylate
CID 115539392
(3R)-1-(3-fluoro-2-nitrophenyl)-3-methylpiperazine
CID 104976022

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine?
The IUPAC name of 4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine (CID 133278337) is 4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine.
What is the SMILES notation for 4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine?
The canonical SMILES for 4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine is O=[N+]([O-])c1c(F)cccc1N1CCC(OC2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine?
The InChIKey is LOQSTBNQXSDERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c18-15-7-4-8-16(17(15)20(21)22)19-11-9-14(10-12-19)23-13-5-2-1-3-6-13/h4,7-8,13-14H,1-3,5-6,9-12H2.
What are the key properties of 4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine?
4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine has a molecular weight of 322.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine is sourced from PubChem (CID 133278337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).