2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine

C14H19FN2O4 — CID 107260643

IUPAC2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine
SMILESCOc1cc(OCCC2CCCCN2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19FN2O4/c1-20-14-9-13(11(15)8-12(14)17(18)19)21-7-5-10-4-2-3-6-16-10/h8-10,16H,2-7H2,1H3
InChIKeyBDSRUXRNUDFCLL-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.65
Rot. Bonds6

About 2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine

2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine (PubChem CID 107260643) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine
PubChem CID107260643
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine
SMILESCOc1cc(OCCC2CCCCN2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19FN2O4/c1-20-14-9-13(11(15)8-12(14)17(18)19)21-7-5-10-4-2-3-6-16-10/h8-10,16H,2-7H2,1H3
InChIKeyBDSRUXRNUDFCLL-UHFFFAOYSA-N
XLogP2.65
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
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

2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine
CID 107260637
(2S)-2-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 86321509
2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine
CID 114416735
2-fluoro-5-methoxy-4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 107260550
4-fluoro-5-methoxy-2-nitro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 114794371
3-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]piperidine
CID 107260647
2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine
CID 63991171
2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine
CID 63598346
3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide
CID 115736888
2-[3-(2,5-dimethyl-4-nitrophenoxy)propyl]pyrrolidine
CID 63181099
2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 56830416
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine (CID 107260643) is 2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine is COc1cc(OCCC2CCCCN2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine?
The InChIKey is BDSRUXRNUDFCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-20-14-9-13(11(15)8-12(14)17(18)19)21-7-5-10-4-2-3-6-16-10/h8-10,16H,2-7H2,1H3.
What are the key properties of 2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine?
2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine has a molecular weight of 298.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine is sourced from PubChem (CID 107260643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).