tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate

C14H22FNO4 — CID 70879987

IUPACtert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C14H22FNO4/c1-5-19-12(17)8-10-6-7-16(9-11(10)15)13(18)20-14(2,3)4/h8,11H,5-7,9H2,1-4H3
InChIKeyOJLWXVWHUZEEPZ-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.45
Rot. Bonds2

About tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate

tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate (PubChem CID 70879987) has the molecular formula C14H22FNO4 and a molecular weight of 287.33 g/mol. Its IUPAC name is tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
PubChem CID70879987
Molecular FormulaC14H22FNO4
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Nametert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C14H22FNO4/c1-5-19-12(17)8-10-6-7-16(9-11(10)15)13(18)20-14(2,3)4/h8,11H,5-7,9H2,1-4H3
InChIKeyOJLWXVWHUZEEPZ-UHFFFAOYSA-N
XLogP2.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-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 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate
CID 10377658
tert-Butyl 4-(2-Ethoxy-2-oxoethylidene)piperidine-1-carboxylate
CID 10333298
(1-Boc-4-piperidinylidene)acetic acid
CID 10681562
tert-butyl 4-[(E)-4-ethoxy-4-oxobut-2-enylidene]piperidine-1-carboxylate
CID 19970151
(2Z)-2-(1-butoxycarbonyl-3-fluoropiperidin-4-ylidene)acetic acid
CID 23511737
ethyl (4E)-4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
CID 57845350
Tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
CID 58804132
tert-butyl (4Z)-4-(2-ethoxy-1-fluoro-2-oxoethylidene)-3,3-dimethylpiperidine-1-carboxylate
CID 58804144
Tert-butyl 4-(2-ethoxy-1-fluoro-2-oxoethylidene)piperidine-1-carboxylate
CID 58804146
tert-butyl (3Z)-3-(2-ethoxy-1-fluoro-2-oxoethylidene)piperidine-1-carboxylate
CID 59650046
tert-butyl (3E)-3-(2-ethoxy-1-fluoro-2-oxoethylidene)piperidine-1-carboxylate
CID 59650056
(E)-ethyl 2-fluoro-3-(N-Boc-piperdin-4-yl)propenoate
CID 66561288

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate (CID 70879987) is tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate is CCOC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate?
The InChIKey is OJLWXVWHUZEEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO4/c1-5-19-12(17)8-10-6-7-16(9-11(10)15)13(18)20-14(2,3)4/h8,11H,5-7,9H2,1-4H3.
What are the key properties of tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate?
tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate has a molecular weight of 287.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 70879987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).