tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate

C13H25NO3 — CID 162451549

IUPACtert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(C)C1(C)O
InChIInChI=1S/C13H25NO3/c1-9-7-14(8-10(2)13(9,6)16)11(15)17-12(3,4)5/h9-10,16H,7-8H2,1-6H3
InChIKeyISGCWHRGTGOEJH-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.26
Rot. Bonds

About tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate

tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate (PubChem CID 162451549) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate
PubChem CID162451549
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(C)C1(C)O
InChIInChI=1S/C13H25NO3/c1-9-7-14(8-10(2)13(9,6)16)11(15)17-12(3,4)5/h9-10,16H,7-8H2,1-6H3
InChIKeyISGCWHRGTGOEJH-UHFFFAOYSA-N
XLogP2.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
CID 130792843
tert-butyl 8-hydroxy-8-methyl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 162493694
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (3R,5S)-4,4-difluoro-3-hydroxy-5-methylpiperidine-1-carboxylate
CID 167458306
tert-butyl (3S,4R)-4-hydroxy-3,4-dimethylazepane-1-carboxylate
CID 124523450
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 58338096
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate
CID 59605621
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
tert-butyl 8-hydroxy-8-propan-2-yl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 162493695

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate (CID 162451549) is tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CC(C)C1(C)O.
What is the InChIKey of tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate?
The InChIKey is ISGCWHRGTGOEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9-7-14(8-10(2)13(9,6)16)11(15)17-12(3,4)5/h9-10,16H,7-8H2,1-6H3.
What are the key properties of tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate?
tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate is sourced from PubChem (CID 162451549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).