tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate

C13H22FNO4 — CID 174427847

IUPACtert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate
SMILESCC(F)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H22FNO4/c1-9(14)11(16)18-10-5-7-15(8-6-10)12(17)19-13(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyAMQRYQAYGAEZFM-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate

tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate (PubChem CID 174427847) has the molecular formula C13H22FNO4 and a molecular weight of 275.32 g/mol. Its IUPAC name is tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate
PubChem CID174427847
Molecular FormulaC13H22FNO4
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Nametert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate
SMILESCC(F)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H22FNO4/c1-9(14)11(16)18-10-5-7-15(8-6-10)12(17)19-13(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyAMQRYQAYGAEZFM-UHFFFAOYSA-N
XLogP2.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}oxy)propanoic acid
CID 58022752
tert-butyl (3S,4R)-3-fluoro-4-methoxypiperidine-1-carboxylate
CID 90176715
Tert-butyl 3,3-difluoro-4-methoxypiperidine-1-carboxylate
CID 129980637
Ethyl N-Boc-4-fluoropiperidine-4-carboxylate
CID 21306965
Tert-Butyl 4-(2,2,2-trifluoroethoxy)-1-piperidinecarboxylate
CID 21906044
2-Methylbutan-2-yl 4-(2,2,4,4,4-pentafluorobutanoyloxy)piperidine-1-carboxylate
CID 58070697
Tert-butyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate
CID 58571501
(1,1,1-Trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
CID 70958176
2-Methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate
CID 70958185
Tert-butyl 4-(2,2-difluoropropanoyloxymethyl)piperidine-1-carboxylate
CID 71232324
Ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate
CID 71232328
Tert-butyl 3-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate
CID 71232341

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate (CID 174427847) is tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate is CC(F)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate?
The InChIKey is AMQRYQAYGAEZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO4/c1-9(14)11(16)18-10-5-7-15(8-6-10)12(17)19-13(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate?
tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate has a molecular weight of 275.32 g/mol, XLogP of 2.29, 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-fluoropropanoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 174427847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).