tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate

C14H24FNO3 — CID 58804116

IUPACtert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC/C(=C(/F)CO)C(C)(C)C1
InChIInChI=1S/C14H24FNO3/c1-13(2,3)19-12(18)16-7-6-10(11(15)8-17)14(4,5)9-16/h17H,6-9H2,1-5H3/b11-10-
InChIKeyHUKRTDCUDGCHAU-KHPPLWFESA-N
MW273.35 g/mol
LogP2.87
Rot. Bonds1

About tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate

tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate (PubChem CID 58804116) has the molecular formula C14H24FNO3 and a molecular weight of 273.35 g/mol. Its IUPAC name is tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate
PubChem CID58804116
Molecular FormulaC14H24FNO3
Molecular Weight273.35 g/mol
Exact Mass273.17
IUPAC Nametert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC/C(=C(/F)CO)C(C)(C)C1
InChIInChI=1S/C14H24FNO3/c1-13(2,3)19-12(18)16-7-6-10(11(15)8-17)14(4,5)9-16/h17H,6-9H2,1-5H3/b11-10-
InChIKeyHUKRTDCUDGCHAU-KHPPLWFESA-N
XLogP2.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate (CID 58804116) is tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC/C(=C(/F)CO)C(C)(C)C1.
What is the InChIKey of tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is HUKRTDCUDGCHAU-KHPPLWFESA-N. The full InChI is InChI=1S/C14H24FNO3/c1-13(2,3)19-12(18)16-7-6-10(11(15)8-17)14(4,5)9-16/h17H,6-9H2,1-5H3/b11-10-.
What are the key properties of tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate?
tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 273.35 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4Z)-4-(1-fluoro-2-hydroxyethylidene)-3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 58804116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).