ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate

C13H14F4N2O2 — CID 57457177

IUPACethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C13H14F4N2O2/c1-2-21-13(20)7-3-5-19(6-4-7)10-8(14)11(16)18-12(17)9(10)15/h7H,2-6H2,1H3
InChIKeyZUGKVTQQCXYMGD-UHFFFAOYSA-N
MW306.26 g/mol
LogP2.42
Rot. Bonds3

About ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate

ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate (PubChem CID 57457177) has the molecular formula C13H14F4N2O2 and a molecular weight of 306.26 g/mol. Its IUPAC name is ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate
PubChem CID57457177
Molecular FormulaC13H14F4N2O2
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC Nameethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C13H14F4N2O2/c1-2-21-13(20)7-3-5-19(6-4-7)10-8(14)11(16)18-12(17)9(10)15/h7H,2-6H2,1H3
InChIKeyZUGKVTQQCXYMGD-UHFFFAOYSA-N
XLogP2.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-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

ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate
CID 153407770
ethyl 1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidine-4-carboxylate
CID 68775709
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
CID 105380316
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143566802

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate (CID 57457177) is ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate?
The InChIKey is ZUGKVTQQCXYMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O2/c1-2-21-13(20)7-3-5-19(6-4-7)10-8(14)11(16)18-12(17)9(10)15/h7H,2-6H2,1H3.
What are the key properties of ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate?
ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate has a molecular weight of 306.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 57457177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).