tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate

C15H26FNO5 — CID 129320006

IUPACtert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1F
InChIInChI=1S/C15H26FNO5/c1-14(2,3)21-12(18)17-8-7-10(16)11(9-17)20-13(19)22-15(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11-/m1/s1
InChIKeyRLKUBAPNXUHMBK-GHMZBOCLSA-N
MW319.37 g/mol
LogP3.29
Rot. Bonds1

About tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate

tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate (PubChem CID 129320006) has the molecular formula C15H26FNO5 and a molecular weight of 319.37 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate
PubChem CID129320006
Molecular FormulaC15H26FNO5
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Nametert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1F
InChIInChI=1S/C15H26FNO5/c1-14(2,3)21-12(18)17-8-7-10(16)11(9-17)20-13(19)22-15(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11-/m1/s1
InChIKeyRLKUBAPNXUHMBK-GHMZBOCLSA-N
XLogP3.29
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl (3S,4R)-3-fluoro-4-formylpiperidine-1-carboxylate
CID 97289468
tert-butyl (3S,4S)-4-ethenoxy-3-fluoropiperidine-1-carboxylate
CID 156538377
tert-butyl (3R,4S)-3-fluoro-4-(trideuteriomethoxy)piperidine-1-carboxylate
CID 165390537
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 156538686
tert-butyl (3R,4S)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 124556161
tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate
CID 140876664
tert-butyl (3R,4R)-3-fluoro-4-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate
CID 89088003
tert-butyl (4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate
CID 129294531
tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 171487599
tert-butyl (3S,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 131734058

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate (CID 129320006) is tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1F.
What is the InChIKey of tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate?
The InChIKey is RLKUBAPNXUHMBK-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H26FNO5/c1-14(2,3)21-12(18)17-8-7-10(16)11(9-17)20-13(19)22-15(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate?
tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate has a molecular weight of 319.37 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate is sourced from PubChem (CID 129320006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).