(3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol

C16H27NO4Si — CID 173332614

IUPAC(3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol
SMILESC[Si](C)(C)c1ccccc1CN1C[C@H](O)[C@@H](O)[C@H](O)C1CO
InChIInChI=1S/C16H27NO4Si/c1-22(2,3)14-7-5-4-6-11(14)8-17-9-13(19)16(21)15(20)12(17)10-18/h4-7,12-13,15-16,18-21H,8-10H2,1-3H3/t12?,13-,15+,16+/m0/s1
InChIKeyVGIFLHFJUSALIL-CCQOOCRRSA-N
MW325.48 g/mol
LogP-0.51
Rot. Bonds4

About (3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol

(3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol (PubChem CID 173332614) has the molecular formula C16H27NO4Si and a molecular weight of 325.48 g/mol. Its IUPAC name is (3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol
PubChem CID173332614
Molecular FormulaC16H27NO4Si
Molecular Weight325.48 g/mol
Exact Mass325.17
IUPAC Name(3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol
SMILESC[Si](C)(C)c1ccccc1CN1C[C@H](O)[C@@H](O)[C@H](O)C1CO
InChIInChI=1S/C16H27NO4Si/c1-22(2,3)14-7-5-4-6-11(14)8-17-9-13(19)16(21)15(20)12(17)10-18/h4-7,12-13,15-16,18-21H,8-10H2,1-3H3/t12?,13-,15+,16+/m0/s1
InChIKeyVGIFLHFJUSALIL-CCQOOCRRSA-N
XLogP-0.51
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
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)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[2-(2-methylphenyl)ethyl]piperidine-3,4,5-triol
CID 157039383
2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol
CID 12852784
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(trimethylsilylmethyl)piperidine-3,4,5-triol
CID 15218073
(2S,3R,4R,5S)-1-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 155286685
(2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol
CID 52945201
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[[4-(2-phenylethenyl)phenyl]methyl]piperidine-3,4,5-triol
CID 90944438
2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol
CID 72966586
(3R,4R)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
CID 71316559
(2R,3R,4S)-1-[(4-aminoquinazolin-8-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 52949715
(2R,3R,4R,5S)-1-[2-(2,3-difluorophenyl)ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157039442
(2S,3R,4R,5S)-1-[(4-butoxyphenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11461522

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol?
The IUPAC name of (3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol (CID 173332614) is (3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol?
The canonical SMILES for (3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol is C[Si](C)(C)c1ccccc1CN1C[C@H](O)[C@@H](O)[C@H](O)C1CO.
What is the InChIKey of (3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol?
The InChIKey is VGIFLHFJUSALIL-CCQOOCRRSA-N. The full InChI is InChI=1S/C16H27NO4Si/c1-22(2,3)14-7-5-4-6-11(14)8-17-9-13(19)16(21)15(20)12(17)10-18/h4-7,12-13,15-16,18-21H,8-10H2,1-3H3/t12?,13-,15+,16+/m0/s1.
What are the key properties of (3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol?
(3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol has a molecular weight of 325.48 g/mol, XLogP of -0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-2-(hydroxymethyl)-1-[(2-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 173332614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).