methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate

C13H15FN2O4 — CID 67992187

IUPACmethyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H15FN2O4/c1-20-13(17)9-5-7-15(8-6-9)12-10(14)3-2-4-11(12)16(18)19/h2-4,9H,5-8H2,1H3
InChIKeyFCUOHYLGXZINJK-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.12
Rot. Bonds3

About methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate

methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate (PubChem CID 67992187) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate
PubChem CID67992187
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Namemethyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H15FN2O4/c1-20-13(17)9-5-7-15(8-6-9)12-10(14)3-2-4-11(12)16(18)19/h2-4,9H,5-8H2,1H3
InChIKeyFCUOHYLGXZINJK-UHFFFAOYSA-N
XLogP2.12
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
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

tert-butyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate
CID 171061967
methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362
tert-butyl N-[[1-(2-fluoro-6-nitrophenyl)piperidin-4-yl]methyl]carbamate
CID 70649818
1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol
CID 75993954
methyl 1-(4-fluoro-5-methyl-2-nitrophenyl)piperidine-4-carboxylate
CID 103594323
methyl 1-(4-bromo-5-fluoro-2-nitrophenyl)piperidine-4-carboxylate
CID 66110126
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
ethyl 1-(2-cyano-6-nitrophenyl)piperidine-4-carboxylate
CID 171316301
methyl 1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxylate
CID 75497619
methyl 1-(2-methyl-6-nitrophenyl)piperidine-2-carboxylate
CID 115554053
methyl 1-[6-(2-fluoroanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 22527757
methyl 1-(2-nitrobenzoyl)pyrrolidine-3-carboxylate
CID 47340240

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate (CID 67992187) is methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate is COC(=O)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1.
What is the InChIKey of methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate?
The InChIKey is FCUOHYLGXZINJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-20-13(17)9-5-7-15(8-6-9)12-10(14)3-2-4-11(12)16(18)19/h2-4,9H,5-8H2,1H3.
What are the key properties of methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate?
methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate has a molecular weight of 282.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate is sourced from PubChem (CID 67992187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).