(2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol

C20H34FNO4Si — CID 155721102

IUPAC(2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCc1ccccc1F
InChIInChI=1S/C20H34FNO4Si/c1-20(2,3)27(4,5)26-13-16-18(24)19(25)17(23)12-22(16)11-10-14-8-6-7-9-15(14)21/h6-9,16-19,23-25H,10-13H2,1-5H3/t16-,17-,18+,19+/m0/s1
InChIKeyXWPXXXFFXFRDHS-INDMIFKZSA-N
MW399.58 g/mol
LogP2.16
Rot. Bonds6

About (2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol

(2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol (PubChem CID 155721102) has the molecular formula C20H34FNO4Si and a molecular weight of 399.58 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol
PubChem CID155721102
Molecular FormulaC20H34FNO4Si
Molecular Weight399.58 g/mol
Exact Mass399.22
IUPAC Name(2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCc1ccccc1F
InChIInChI=1S/C20H34FNO4Si/c1-20(2,3)27(4,5)26-13-16-18(24)19(25)17(23)12-22(16)11-10-14-8-6-7-9-15(14)21/h6-9,16-19,23-25H,10-13H2,1-5H3/t16-,17-,18+,19+/m0/s1
InChIKeyXWPXXXFFXFRDHS-INDMIFKZSA-N
XLogP2.16
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5S)-2-Hydroxymethyl-1-(3-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 9883791
(2R,3R,4R,5S)-1-[(Dimethyl-phenyl-silanyl)-methyl]-2-hydroxymethyl-piperidine-3,4,5-triol
CID 15218074
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(4-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 15389575
(2R,3R,4R,5S)-1-[3-(Dimethyl-phenyl-silanyl)-propyl]-2-hydroxymethyl-piperidine-3,4,5-triol
CID 44346204
(2R,3R,4R,5S)-1-[4-(Dimethyl-phenyl-silanyl)-butyl]-2-hydroxymethyl-piperidine-3,4,5-triol
CID 44346242
(2R,3R,4R)-2-(Hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol
CID 15945971
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{5-[4-(2-methoxyethyl)phenyl]pentyl}piperidine-3,4,5-triol
CID 166625089
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-(3-phenylpropyl)-, (2R,3R,4R,5S)-
CID 451530
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(4-phenylbutyl)piperidine-3,4,5-triol
CID 503980
N-(3-phenyl-2-propenyl)-1-deoxynojirimycin
CID 6438405
(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
(2R,3R,4R,5S)-1-[(E)-3-(Dimethyl-phenyl-silanyl)-allyl]-2-hydroxymethyl-piperidine-3,4,5-triol
CID 44346152

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol (CID 155721102) is (2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol is CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCc1ccccc1F.
What is the InChIKey of (2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol?
The InChIKey is XWPXXXFFXFRDHS-INDMIFKZSA-N. The full InChI is InChI=1S/C20H34FNO4Si/c1-20(2,3)27(4,5)26-13-16-18(24)19(25)17(23)12-22(16)11-10-14-8-6-7-9-15(14)21/h6-9,16-19,23-25H,10-13H2,1-5H3/t16-,17-,18+,19+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol?
(2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol has a molecular weight of 399.58 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-3,4,5-triol is sourced from PubChem (CID 155721102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).