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

C13H20FNO3 — CID 176829579

IUPACtert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate
SMILESCC(=O)/C=C1/CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C13H20FNO3/c1-9(16)7-10-5-6-15(8-11(10)14)12(17)18-13(2,3)4/h7,11H,5-6,8H2,1-4H3/b10-7-
InChIKeyAGSDFIHTYHFTJV-YFHOEESVSA-N
MW257.30 g/mol
LogP2.48
Rot. Bonds1

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

tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate (PubChem CID 176829579) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate
PubChem CID176829579
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Nametert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate
SMILESCC(=O)/C=C1/CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C13H20FNO3/c1-9(16)7-10-5-6-15(8-11(10)14)12(17)18-13(2,3)4/h7,11H,5-6,8H2,1-4H3/b10-7-
InChIKeyAGSDFIHTYHFTJV-YFHOEESVSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 3-fluoro-4-methylenepiperidine-1-carboxylate
CID 53302091
tert-Butyl (3Z)-3-ethylidene-4-oxopiperidine-1-carboxylate
CID 57514464
tert-Butyl 4-(2-oxoethylidene)piperidine-1-carboxylate
CID 57602861
Tert-butyl 4-(1-fluoroprop-2-enylidene)piperidine-1-carboxylate
CID 57741959
Tert-butyl 4-(1-fluoro-2-oxoethylidene)piperidine-1-carboxylate
CID 57741998
Tert-butyl 4-(2-(dimethylamino)-1-fluoroethylidene)piperidine-1-carboxylate
CID 58804095
Tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
CID 58804132
tert-butyl (3Z)-3-(1-fluoropropylidene)piperidine-1-carboxylate
CID 59650042
tert-butyl (3E)-3-(1-fluoro-2-oxopropylidene)piperidine-1-carboxylate
CID 59650047
Tert-butyl 4-(1-fluoropropylidene)piperidine-1-carboxylate
CID 59650048
Tert-butyl 4-(3,3,3-trifluoropropylidene)piperidine-1-carboxylate
CID 66803251
CID 70879987
CID 70879987

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate (CID 176829579) is tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate is CC(=O)/C=C1/CCN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate?
The InChIKey is AGSDFIHTYHFTJV-YFHOEESVSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-9(16)7-10-5-6-15(8-11(10)14)12(17)18-13(2,3)4/h7,11H,5-6,8H2,1-4H3/b10-7-.
What are the key properties of tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate?
tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate has a molecular weight of 257.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate is sourced from PubChem (CID 176829579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).