3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine

C14H19FN2O3 — CID 114416727

IUPAC3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine
SMILESCc1cc(OCCC2CCCNC2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19FN2O3/c1-10-7-14(12(15)8-13(10)17(18)19)20-6-4-11-3-2-5-16-9-11/h7-8,11,16H,2-6,9H2,1H3
InChIKeyJNIMSRWOTNLYSS-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.81
Rot. Bonds5

About 3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine

3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine (PubChem CID 114416727) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine
PubChem CID114416727
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine
SMILESCc1cc(OCCC2CCCNC2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19FN2O3/c1-10-7-14(12(15)8-13(10)17(18)19)20-6-4-11-3-2-5-16-9-11/h7-8,11,16H,2-6,9H2,1H3
InChIKeyJNIMSRWOTNLYSS-UHFFFAOYSA-N
XLogP2.81
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.81
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-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 79176653
2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine
CID 114416735
3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine
CID 62357045
3-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]piperidine
CID 107260647
2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one
CID 114417282
4-nitro-3-(2-piperidin-3-ylethoxy)benzamide
CID 82992578
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730
1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
CID 103160727
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
3-[2-(3-chloro-4-nitrophenoxy)ethyl]piperidine
CID 62356879
7-nitro-4-(2-piperidin-3-ylethoxy)-2,1,3-benzoxadiazole
CID 62358034

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine (CID 114416727) is 3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine is Cc1cc(OCCC2CCCNC2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine?
The InChIKey is JNIMSRWOTNLYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10-7-14(12(15)8-13(10)17(18)19)20-6-4-11-3-2-5-16-9-11/h7-8,11,16H,2-6,9H2,1H3.
What are the key properties of 3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine?
3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine has a molecular weight of 282.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine is sourced from PubChem (CID 114416727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).