3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine

C12H15FN2O3 — CID 107349946

IUPAC3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine
SMILESO=[N+]([O-])c1cccc(COC2CCCNC2)c1F
InChIInChI=1S/C12H15FN2O3/c13-12-9(3-1-5-11(12)15(16)17)8-18-10-4-2-6-14-7-10/h1,3,5,10,14H,2,4,6-8H2
InChIKeyPULAQNYSYFRAIS-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.00
Rot. Bonds4

About 3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine

3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine (PubChem CID 107349946) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine.

Molecular Properties

Compound Name3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine
PubChem CID107349946
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine
SMILESO=[N+]([O-])c1cccc(COC2CCCNC2)c1F
InChIInChI=1S/C12H15FN2O3/c13-12-9(3-1-5-11(12)15(16)17)8-18-10-4-2-6-14-7-10/h1,3,5,10,14H,2,4,6-8H2
InChIKeyPULAQNYSYFRAIS-UHFFFAOYSA-N
XLogP2.00
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
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-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene
CID 107348718
3-[(3-bromo-2-fluorophenyl)methoxy]piperidine
CID 146023940
3-[(2-bromo-4-nitrophenyl)methoxy]piperidine
CID 62329388
1-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688
4-[(2-nitrophenyl)methoxy]piperidine
CID 43346289
[2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine
CID 107349967
3-[(2,3-dichlorophenyl)methoxy]piperidine
CID 107306986
2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid
CID 106939316
(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
CID 66246791
1-[(2-fluoro-3-nitrophenyl)methyl]-2,6-dimethylpiperazine
CID 107350272
3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
CID 62328013
(2S)-1-[(2-fluoro-3-nitrophenyl)methyl]-2-methylpiperazine
CID 107350328

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine?
The IUPAC name of 3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine (CID 107349946) is 3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine.
What is the SMILES notation for 3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine?
The canonical SMILES for 3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine is O=[N+]([O-])c1cccc(COC2CCCNC2)c1F.
What is the InChIKey of 3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine?
The InChIKey is PULAQNYSYFRAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-12-9(3-1-5-11(12)15(16)17)8-18-10-4-2-6-14-7-10/h1,3,5,10,14H,2,4,6-8H2.
What are the key properties of 3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine?
3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine has a molecular weight of 254.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine is sourced from PubChem (CID 107349946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).