tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate

C13H20N2O3S — CID 57423796

IUPACtert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2nccs2)CC1
InChIInChI=1S/C13H20N2O3S/c1-12(2,3)18-11(16)15-7-4-13(17,5-8-15)10-14-6-9-19-10/h6,9,17H,4-5,7-8H2,1-3H3
InChIKeyPUEICTJQJXTYCT-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.36
Rot. Bonds1

About tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate (PubChem CID 57423796) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate
PubChem CID57423796
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nametert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2nccs2)CC1
InChIInChI=1S/C13H20N2O3S/c1-12(2,3)18-11(16)15-7-4-13(17,5-8-15)10-14-6-9-19-10/h6,9,17H,4-5,7-8H2,1-3H3
InChIKeyPUEICTJQJXTYCT-UHFFFAOYSA-N
XLogP2.36
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70782939
4-Fluoro-4-thiazol-2-yl-piperidine-1-carboxylic acid tert-butyl ester
CID 57423797
4-Fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 123247113
Tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 172701138
tert-butyl (3R)-3-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate
CID 92423315
[3-Hydroxy-3-(1,3-thiazol-2-yl)propyl]-methylcarbamic acid
CID 17931140
Tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate
CID 18538756
4-(Thiazol-2-ylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester
CID 18538907
Tert-butyl 4-(((methylsulfonyl)oxy)(thiazol-2-yl)methyl)piperidine-1-carboxylate
CID 18539245
1-Boc-4-(Hydroxythiazol-2-yl-methyl)piperidine
CID 18539256
tert-Butyl 4-(thiazol-2-yloxy)piperidine-1-carboxylate
CID 21906099
3-(2-Thiazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
CID 53485227

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate (CID 57423796) is tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(c2nccs2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is PUEICTJQJXTYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-12(2,3)18-11(16)15-7-4-13(17,5-8-15)10-14-6-9-19-10/h6,9,17H,4-5,7-8H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 57423796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).