ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate

C14H17FN2O5 — CID 134124384

IUPACethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H17FN2O5/c1-2-21-14(18)16-7-5-11(6-8-16)22-13-4-3-10(15)9-12(13)17(19)20/h3-4,9,11H,2,5-8H2,1H3
InChIKeyGIJTZTZOHSKPNF-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.73
Rot. Bonds4

About ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate

ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate (PubChem CID 134124384) has the molecular formula C14H17FN2O5 and a molecular weight of 312.30 g/mol. Its IUPAC name is ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate
PubChem CID134124384
Molecular FormulaC14H17FN2O5
Molecular Weight312.30 g/mol
Exact Mass312.11
IUPAC Nameethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H17FN2O5/c1-2-21-14(18)16-7-5-11(6-8-16)22-13-4-3-10(15)9-12(13)17(19)20/h3-4,9,11H,2,5-8H2,1H3
InChIKeyGIJTZTZOHSKPNF-UHFFFAOYSA-N
XLogP2.73
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.73
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'}

Analyze ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(4-fluoro-2-nitrophenoxy)pyrrolidine-1-carboxylate
CID 75993955
ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
CID 79768815
tert-butyl 4-(2-fluoro-3-nitrophenoxy)piperidine-1-carboxylate
CID 118429685
ethyl 2-amino-3-(4-fluoro-2-nitrophenoxy)propanoate
CID 62368869
ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate
CID 89064489
1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide
CID 8873562
ethyl 4-(3-methoxy-2-nitroanilino)piperidine-1-carboxylate
CID 69177022
ethyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 23374509
ethyl 4-fluoro-2-nitrobenzoate
CID 46311379
ethyl 4-(2-methyl-6-nitroanilino)piperidine-1-carboxylate
CID 22380652
tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate
CID 67528811
N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
CID 58421485

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate (CID 134124384) is ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate is CCOC(=O)N1CCC(Oc2ccc(F)cc2[N+](=O)[O-])CC1.
What is the InChIKey of ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate?
The InChIKey is GIJTZTZOHSKPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O5/c1-2-21-14(18)16-7-5-11(6-8-16)22-13-4-3-10(15)9-12(13)17(19)20/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate?
ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate has a molecular weight of 312.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 134124384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).