[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol

C19H32ClNO4SSi — CID 58639775

IUPAC[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1CCCC(CO)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H32ClNO4SSi/c1-19(2,3)27(4,5)25-14-17-8-6-7-16(13-22)21(17)26(23,24)18-11-9-15(20)10-12-18/h9-12,16-17,22H,6-8,13-14H2,1-5H3
InChIKeyWIJBJTBCWJXPCP-UHFFFAOYSA-N
MW434.07 g/mol
LogP4.27
Rot. Bonds6

About [6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol

[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol (PubChem CID 58639775) has the molecular formula C19H32ClNO4SSi and a molecular weight of 434.07 g/mol. Its IUPAC name is [6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol
PubChem CID58639775
Molecular FormulaC19H32ClNO4SSi
Molecular Weight434.07 g/mol
Exact Mass433.15
IUPAC Name[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1CCCC(CO)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H32ClNO4SSi/c1-19(2,3)27(4,5)25-14-17-8-6-7-16(13-22)21(17)26(23,24)18-11-9-15(20)10-12-18/h9-12,16-17,22H,6-8,13-14H2,1-5H3
InChIKeyWIJBJTBCWJXPCP-UHFFFAOYSA-N
XLogP4.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.07
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 58932468
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide
CID 58932409
[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 59051238
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 102585686
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane
CID 10450874
[(2R,6S)-1-(4-methylphenyl)sulfonyl-6-[(4-methylphenyl)sulfonyloxymethyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate
CID 10919139
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
methyl 2-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]prop-2-enoate
CID 58584473
tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane
CID 11269094
tert-butyl-[[(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylazetidin-2-yl]methoxy]-diphenylsilane
CID 59052953
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(methoxymethyl)piperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 58850150

Frequently Asked Questions

What is the IUPAC name of [6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol (CID 58639775) is [6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol is CC(C)(C)[Si](C)(C)OCC1CCCC(CO)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is WIJBJTBCWJXPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClNO4SSi/c1-19(2,3)27(4,5)25-14-17-8-6-7-16(13-22)21(17)26(23,24)18-11-9-15(20)10-12-18/h9-12,16-17,22H,6-8,13-14H2,1-5H3.
What are the key properties of [6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol?
[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 434.07 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 58639775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).