tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

C14H22N2O3S — CID 7164573

IUPACtert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(CO)cs2)CC1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)12-15-11(8-17)9-20-12/h9-10,17H,4-8H2,1-3H3
InChIKeyRDZWXODJIWMJPE-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.75
Rot. Bonds2

About tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (PubChem CID 7164573) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
PubChem CID7164573
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nametert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(CO)cs2)CC1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)12-15-11(8-17)9-20-12/h9-10,17H,4-8H2,1-3H3
InChIKeyRDZWXODJIWMJPE-UHFFFAOYSA-N
XLogP2.75
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 2795531
2-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}methyl)-1,3-thiazole-4-carboxylicacid
CID 138054099
2-({1-[(Tert-butoxy)carbonyl]piperidin-3-yl}methyl)-1,3-thiazole-4-carboxylic acid
CID 137928092
Tert-butyl 3-hydroxy-3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]azetidine-1-carboxylate
CID 177801634
[(1R,3R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl] acetate
CID 59197602
Tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 162412080
Tert-butyl 4-[4-(difluoromethyl)thiazol-2-yl]piperidine-1-carboxylate
CID 129482060
2-[1-(3-Fluoropropoxycarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
CID 136562119
2-(1-Propanoylpiperidin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 39367036
2-[1-(2-Methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
CID 39382046
2-(1-(Tert-butoxycarbonyl)piperidin-3-YL)thiazole-4-carboxylic acid
CID 57960408
4-(4-Methanesulfonyloxymethyl-thiazol-2-yl)-4-methyl-piperidine-1-carboxylic acid tert-butyl ester
CID 57986855

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (CID 7164573) is tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nc(CO)cs2)CC1.
What is the InChIKey of tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is RDZWXODJIWMJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)12-15-11(8-17)9-20-12/h9-10,17H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 7164573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).