tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate

C12H20FNO3 — CID 70879988

IUPACtert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=CCO)C(F)C1
InChIInChI=1S/C12H20FNO3/c1-12(2,3)17-11(16)14-6-4-9(5-7-15)10(13)8-14/h5,10,15H,4,6-8H2,1-3H3
InChIKeyGEJKLZOKKCLTNX-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.88
Rot. Bonds1

About tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate

tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate (PubChem CID 70879988) has the molecular formula C12H20FNO3 and a molecular weight of 245.29 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate
PubChem CID70879988
Molecular FormulaC12H20FNO3
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Nametert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=CCO)C(F)C1
InChIInChI=1S/C12H20FNO3/c1-12(2,3)17-11(16)14-6-4-9(5-7-15)10(13)8-14/h5,10,15H,4,6-8H2,1-3H3
InChIKeyGEJKLZOKKCLTNX-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
CID 45158916
tert-butyl (5E)-5-(2-acetyloxyethylidene)-3-methylazepane-1-carboxylate
CID 155716672
tert-butyl (4S)-4-fluoro-5-oxoazepane-1-carboxylate
CID 124523417
tert-butyl 3-(3-hydroxy-2-methylpropyl)-4-oxopiperidine-1-carboxylate
CID 114451390
tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate
CID 146158103
tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681
tert-butyl 4-oxo-3-pent-4-enylpiperidine-1-carboxylate
CID 114451440
tert-butyl (3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
CID 67334474
tert-butyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 57376569
tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate
CID 114451383
tert-butyl 3-(2-hydroxy-2-methylpropyl)-4-oxopiperidine-1-carboxylate
CID 114451413
tert-butyl 4-oxo-3-(3,3,3-trifluoropropyl)piperidine-1-carboxylate
CID 114451458

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate (CID 70879988) is tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=CCO)C(F)C1.
What is the InChIKey of tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate?
The InChIKey is GEJKLZOKKCLTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO3/c1-12(2,3)17-11(16)14-6-4-9(5-7-15)10(13)8-14/h5,10,15H,4,6-8H2,1-3H3.
What are the key properties of tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate?
tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate has a molecular weight of 245.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate is sourced from PubChem (CID 70879988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).