tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate

C16H26N2O3S — CID 97175883

IUPACtert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate
SMILESC[C@H](OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1
InChIInChI=1S/C16H26N2O3S/c1-12(14-17-7-9-22-14)20-11-13-6-5-8-18(10-13)15(19)21-16(2,3)4/h7,9,12-13H,5-6,8,10-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyAWKPZFKNMKBHOK-QWHCGFSZSA-N
MW326.46 g/mol
LogP3.87
Rot. Bonds4

About tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate (PubChem CID 97175883) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate
PubChem CID97175883
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Nametert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate
SMILESC[C@H](OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1
InChIInChI=1S/C16H26N2O3S/c1-12(14-17-7-9-22-14)20-11-13-6-5-8-18(10-13)15(19)21-16(2,3)4/h7,9,12-13H,5-6,8,10-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyAWKPZFKNMKBHOK-QWHCGFSZSA-N
XLogP3.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175876
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175881
tert-butyl (3S)-3-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563343
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563340
tert-butyl 3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate
CID 71183822
tert-butyl 3-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 71633620
tert-butyl 3-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 71633235
tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633325
tert-butyl (3R)-3-[[(1R)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175928
tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate
CID 71633691
tert-butyl (3S)-3-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 97172386
tert-butyl (3S)-3-[(3-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 95731970

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate (CID 97175883) is tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate is C[C@H](OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1.
What is the InChIKey of tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate?
The InChIKey is AWKPZFKNMKBHOK-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(14-17-7-9-22-14)20-11-13-6-5-8-18(10-13)15(19)21-16(2,3)4/h7,9,12-13H,5-6,8,10-11H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate has a molecular weight of 326.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 97175883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).