tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate

C15H28N2O3S — CID 145290232

IUPACtert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CN2CCSCC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-14(2,3)20-13(18)17-6-4-15(19,5-7-17)12-16-8-10-21-11-9-16/h19H,4-12H2,1-3H3
InChIKeyKLCLLNBRZFKSOQ-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.80
Rot. Bonds2

About tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate (PubChem CID 145290232) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate
PubChem CID145290232
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Nametert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CN2CCSCC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-14(2,3)20-13(18)17-6-4-15(19,5-7-17)12-16-8-10-21-11-9-16/h19H,4-12H2,1-3H3
InChIKeyKLCLLNBRZFKSOQ-UHFFFAOYSA-N
XLogP1.80
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate
CID 129023836
tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate
CID 115750820
tert-butyl 4-hydroxy-4-[(3-methoxyazetidin-1-yl)methyl]piperidine-1-carboxylate
CID 126847314
tert-butyl 1,4,7,10-tetrathia-13-azacyclopentadecane-13-carboxylate
CID 166609732
tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
CID 142979907
tert-butyl 4-[(4-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 172592582
tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 121290195
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 4-cyano-4-thiomorpholin-4-ylpiperidine-1-carboxylate
CID 77230546
tert-butyl 4-isocyano-4-thiomorpholin-4-ylpiperidine-1-carboxylate
CID 71685849

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate (CID 145290232) is tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CN2CCSCC2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate?
The InChIKey is KLCLLNBRZFKSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-14(2,3)20-13(18)17-6-4-15(19,5-7-17)12-16-8-10-21-11-9-16/h19H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate has a molecular weight of 316.47 g/mol, XLogP of 1.80, 2 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-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 145290232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).