tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate

C20H34F2N2O6 — CID 159235145

IUPACtert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(F)C1.CC(C)(C)OC(=O)N1CCC(O)C(F)C1
InChIInChI=1S/C10H18FNO3.C10H16FNO3/c2*1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyKTJLQTUURNQFBQ-UHFFFAOYSA-N
MW436.50 g/mol
LogP2.86
Rot. Bonds

About tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate

tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate (PubChem CID 159235145) has the molecular formula C20H34F2N2O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate
PubChem CID159235145
Molecular FormulaC20H34F2N2O6
Molecular Weight436.50 g/mol
Exact Mass436.24
IUPAC Nametert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(F)C1.CC(C)(C)OC(=O)N1CCC(O)C(F)C1
InChIInChI=1S/C10H18FNO3.C10H16FNO3/c2*1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyKTJLQTUURNQFBQ-UHFFFAOYSA-N
XLogP2.86
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-O-tert-butyl 1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1,4-dicarboxylate;tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-ol
CID 159549927
Tert-butyl 4,4-difluoropiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 161993400
Tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate;ethane
CID 162726298
Tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-methylpiperidine-1-carboxylate
CID 164100659
tert-butyl (3R,4S)-4-hydroxy-3-(trifluoromethyl)piperidine-1-carboxylate;tert-butyl (3S,4R)-4-hydroxy-3-(trifluoromethyl)piperidine-1-carboxylate
CID 176470388
cis-1-Boc-4-hydroxy-2-(trifluoromethyl)piperidine
CID 176472250
[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate
CID 67550729
Ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate
CID 68720526
Tert-butyl 4-oxopiperidine-1-carboxylate;4-hydroxypiperidine-1-carboxylic acid
CID 69573764
Tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 70289537
magnesium;tert-butyl N,N-dimethylcarbamate;tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;methane;methanol;bromide
CID 157166723
Tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate
CID 157234222

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate (CID 159235145) is tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)C(F)C1.CC(C)(C)OC(=O)N1CCC(O)C(F)C1.
What is the InChIKey of tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate?
The InChIKey is KTJLQTUURNQFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3.C10H16FNO3/c2*1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate?
tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate has a molecular weight of 436.50 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 159235145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).