tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate

C10H18FNO3 — CID 154575288

IUPACtert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](F)C1
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-7(11)4-8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyWINOHIISMKZAHH-SFYZADRCSA-N
MW219.26 g/mol
LogP1.33
Rot. Bonds

About tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate

tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate (PubChem CID 154575288) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate
PubChem CID154575288
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Nametert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](F)C1
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-7(11)4-8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyWINOHIISMKZAHH-SFYZADRCSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681
tert-butyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate
CID 124510092
tert-butyl 3-amino-5-hydroxypiperidine-1-carboxylate
CID 83680140
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (3S,5R)-3-carbamoyl-5-hydroxypiperidine-1-carboxylate
CID 164799052
tert-butyl 5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 22594656
tert-butyl (3aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 69032277
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 112547151
tert-butyl (3R,4R)-3-(3-fluoroazetidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 126846452

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate (CID 154575288) is tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](F)C1.
What is the InChIKey of tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate?
The InChIKey is WINOHIISMKZAHH-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-7(11)4-8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate?
tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate has a molecular weight of 219.26 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 154575288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).