tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate

C14H26FNO4 — CID 156538686

IUPACtert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
SMILESCC(C)(O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F
InChIInChI=1S/C14H26FNO4/c1-13(2,3)20-12(17)16-7-6-11(10(15)8-16)19-9-14(4,5)18/h10-11,18H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyXMGPWBRJOWDWOF-QWRGUYRKSA-N
MW291.36 g/mol
LogP2.12
Rot. Bonds3

About tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate

tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate (PubChem CID 156538686) has the molecular formula C14H26FNO4 and a molecular weight of 291.36 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
PubChem CID156538686
Molecular FormulaC14H26FNO4
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Nametert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
SMILESCC(C)(O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F
InChIInChI=1S/C14H26FNO4/c1-13(2,3)20-12(17)16-7-6-11(10(15)8-16)19-9-14(4,5)18/h10-11,18H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyXMGPWBRJOWDWOF-QWRGUYRKSA-N
XLogP2.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-(2-hydroxy-2-methylpropoxy)pyrrolidine-1-carboxylate
CID 70848392
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)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropiperidine-1-carboxylate
CID 175554462
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl (4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate
CID 129294531
tert-butyl (3R,4R)-3-fluoro-4-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate
CID 89088003
tert-butyl (3S,4R)-3-fluoro-4-formylpiperidine-1-carboxylate
CID 97289468
tert-butyl (3R,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 170554641
tert-butyl (3S,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 131734058
tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate
CID 142395386

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate (CID 156538686) is tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate is CC(C)(O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F.
What is the InChIKey of tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate?
The InChIKey is XMGPWBRJOWDWOF-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H26FNO4/c1-13(2,3)20-12(17)16-7-6-11(10(15)8-16)19-9-14(4,5)18/h10-11,18H,6-9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate?
tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate has a molecular weight of 291.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate is sourced from PubChem (CID 156538686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).