tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate

C12H20F3NO3 — CID 154720463

IUPACtert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-10(2,3)19-9(17)16-6-4-11(18,5-7-16)8-12(13,14)15/h18H,4-8H2,1-3H3
InChIKeyYOODRTBEVPCBOH-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate (PubChem CID 154720463) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate
PubChem CID154720463
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Nametert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-10(2,3)19-9(17)16-6-4-11(18,5-7-16)8-12(13,14)15/h18H,4-8H2,1-3H3
InChIKeyYOODRTBEVPCBOH-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4,4-difluoropiperidine-1-carboxylate
CID 21192511
tert-Butyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
CID 22248400
1-Boc-4-methyl-piperidin-4-OL
CID 22730812
(3S,4R)-1-Boc-3-fluoro-4-hydroxypiperidine
CID 40152147
1-Piperidinecarboxylic acid, 3,3-difluoro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester
CID 72207348
Tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate
CID 10608815
Tert-butyl 4-ethynyl-4-hydroxypiperidine-1-carboxylate
CID 18366117
Tert-butyl 4-hydroxy-4-(prop-2-yn-1-yl)piperidine-1-carboxylate
CID 21180639
Tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 22061329
tert-Butyl (3S,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 40152148
rac-tert-butyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 40152150
Tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 42609254

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate (CID 154720463) is tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CC(F)(F)F)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate?
The InChIKey is YOODRTBEVPCBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-10(2,3)19-9(17)16-6-4-11(18,5-7-16)8-12(13,14)15/h18H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate is sourced from PubChem (CID 154720463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).