tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate

C10H18FNO3 — CID 67086934

IUPACtert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](O)C1
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyFZAKOAFETOZBLC-HTQZYQBOSA-N
MW219.26 g/mol
LogP1.33
Rot. Bonds

About tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate

tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate (PubChem CID 67086934) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
PubChem CID67086934
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Nametert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](O)C1
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyFZAKOAFETOZBLC-HTQZYQBOSA-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 (3R,4S)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 124556161
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate
CID 129320006
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl (3S,4R)-3-fluoro-4-formylpiperidine-1-carboxylate
CID 97289468
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3S,4S)-3-bromo-4-hydroxypiperidine-1-carboxylate
CID 125183576
tert-butyl 4-cyano-3-hydroxypiperidine-1-carboxylate
CID 54013516
tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
CID 86327283
tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 156538686
tert-butyl (4aS,6S,7R,8aR)-6,7-dihydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 86338160

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate (CID 67086934) is tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](O)C1.
What is the InChIKey of tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate?
The InChIKey is FZAKOAFETOZBLC-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate?
tert-butyl (3R,4R)-4-fluoro-3-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,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 67086934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).