tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate

C12H20FNO3 — CID 25068147

IUPACtert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC/C(=C(\F)CO)C1
InChIInChI=1S/C12H20FNO3/c1-12(2,3)17-11(16)14-6-4-5-9(7-14)10(13)8-15/h15H,4-8H2,1-3H3/b10-9+
InChIKeyLZCGMXWLFIVGKZ-MDZDMXLPSA-N
MW245.29 g/mol
LogP2.23
Rot. Bonds1

About tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate

tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate (PubChem CID 25068147) has the molecular formula C12H20FNO3 and a molecular weight of 245.29 g/mol. Its IUPAC name is tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate
PubChem CID25068147
Molecular FormulaC12H20FNO3
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Nametert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC/C(=C(\F)CO)C1
InChIInChI=1S/C12H20FNO3/c1-12(2,3)17-11(16)14-6-4-5-9(7-14)10(13)8-15/h15H,4-8H2,1-3H3/b10-9+
InChIKeyLZCGMXWLFIVGKZ-MDZDMXLPSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate (CID 25068147) is tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC/C(=C(\F)CO)C1.
What is the InChIKey of tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate?
The InChIKey is LZCGMXWLFIVGKZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H20FNO3/c1-12(2,3)17-11(16)14-6-4-5-9(7-14)10(13)8-15/h15H,4-8H2,1-3H3/b10-9+.
What are the key properties of tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate?
tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate has a molecular weight of 245.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3E)-3-(1-fluoro-2-hydroxyethylidene)piperidine-1-carboxylate is sourced from PubChem (CID 25068147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).