4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine

C13H17FN2O3 — CID 112647861

IUPAC4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine
SMILESO=[N+]([O-])c1cc(F)cc(COCC2CCNCC2)c1
InChIInChI=1S/C13H17FN2O3/c14-12-5-11(6-13(7-12)16(17)18)9-19-8-10-1-3-15-4-2-10/h5-7,10,15H,1-4,8-9H2
InChIKeyGROGYNPLWPVPFA-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.25
Rot. Bonds5

About 4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine

4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine (PubChem CID 112647861) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine.

Molecular Properties

Compound Name4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine
PubChem CID112647861
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine
SMILESO=[N+]([O-])c1cc(F)cc(COCC2CCNCC2)c1
InChIInChI=1S/C13H17FN2O3/c14-12-5-11(6-13(7-12)16(17)18)9-19-8-10-1-3-15-4-2-10/h5-7,10,15H,1-4,8-9H2
InChIKeyGROGYNPLWPVPFA-UHFFFAOYSA-N
XLogP2.25
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.25
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

4-[(3,5-dimethylphenyl)methoxymethyl]piperidine
CID 62340390
1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
CID 80752883
3-[(3-fluoro-5-nitrophenyl)methoxy]cyclohexan-1-amine
CID 112647913
3-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylpiperidine
CID 107385847
1-(chloromethyl)-3-fluoro-5-nitrobenzene
CID 56924386
3-[2-[(3-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795921
[1-[(3-fluoro-5-nitrophenyl)methyl]pyrrolidin-3-yl]methanol
CID 112649123
N-ethyl-2-[(3-fluoro-5-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 115980837
4-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831224
N-(cyclobutylmethyl)-3-fluoro-5-nitroaniline
CID 60876882
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614
4-[[2-(difluoromethyl)-4-nitrophenoxy]methyl]piperidine
CID 63736360

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine?
The IUPAC name of 4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine (CID 112647861) is 4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine.
What is the SMILES notation for 4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine?
The canonical SMILES for 4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine is O=[N+]([O-])c1cc(F)cc(COCC2CCNCC2)c1.
What is the InChIKey of 4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine?
The InChIKey is GROGYNPLWPVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-12-5-11(6-13(7-12)16(17)18)9-19-8-10-1-3-15-4-2-10/h5-7,10,15H,1-4,8-9H2.
What are the key properties of 4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine?
4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine has a molecular weight of 268.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-5-nitrophenyl)methoxymethyl]piperidine is sourced from PubChem (CID 112647861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).