4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine

C12H15FN2O3 — CID 103594346

IUPAC4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine
SMILESCc1cc(OC2CCNCC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H15FN2O3/c1-8-6-12(11(15(16)17)7-10(8)13)18-9-2-4-14-5-3-9/h6-7,9,14H,2-5H2,1H3
InChIKeyOFXWVIYYSXUFLX-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.17
Rot. Bonds3

About 4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine

4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine (PubChem CID 103594346) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine.

Molecular Properties

Compound Name4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine
PubChem CID103594346
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine
SMILESCc1cc(OC2CCNCC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H15FN2O3/c1-8-6-12(11(15(16)17)7-10(8)13)18-9-2-4-14-5-3-9/h6-7,9,14H,2-5H2,1H3
InChIKeyOFXWVIYYSXUFLX-UHFFFAOYSA-N
XLogP2.17
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.17
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-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol
CID 106825684
4-(5-methyl-2-nitrophenoxy)piperidine
CID 20735388
3-(4,5-difluoro-2-nitrophenoxy)azetidine
CID 139591719
3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine
CID 66079206
4-(2,4-dinitrophenoxy)piperidine
CID 62342248
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine
CID 63599233
1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene
CID 159333833
O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride
CID 162421806
5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid
CID 170396033
3-(2,5-difluoro-4-nitrophenoxy)azetidine
CID 63597612
N-(2-fluoro-5-methoxy-4-nitrophenyl)-N-methylazepan-4-amine
CID 107260569

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine?
The IUPAC name of 4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine (CID 103594346) is 4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine.
What is the SMILES notation for 4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine?
The canonical SMILES for 4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine is Cc1cc(OC2CCNCC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine?
The InChIKey is OFXWVIYYSXUFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-8-6-12(11(15(16)17)7-10(8)13)18-9-2-4-14-5-3-9/h6-7,9,14H,2-5H2,1H3.
What are the key properties of 4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine?
4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine has a molecular weight of 254.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine is sourced from PubChem (CID 103594346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).