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

C16H27NO4Si — CID 15389575

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol
SMILESC[Si](C)(C)c1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
InChIInChI=1S/C16H27NO4Si/c1-22(2,3)12-6-4-11(5-7-12)8-17-9-14(19)16(21)15(20)13(17)10-18/h4-7,13-16,18-21H,8-10H2,1-3H3/t13-,14+,15-,16-/m1/s1
InChIKeyYAEKSAQPMXIOQF-QKPAOTATSA-N
MW325.48 g/mol
LogP-0.51
Rot. Bonds4

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

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol (PubChem CID 15389575) has the molecular formula C16H27NO4Si and a molecular weight of 325.48 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol
PubChem CID15389575
Molecular FormulaC16H27NO4Si
Molecular Weight325.48 g/mol
Exact Mass325.17
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol
SMILESC[Si](C)(C)c1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
InChIInChI=1S/C16H27NO4Si/c1-22(2,3)12-6-4-11(5-7-12)8-17-9-14(19)16(21)15(20)13(17)10-18/h4-7,13-16,18-21H,8-10H2,1-3H3/t13-,14+,15-,16-/m1/s1
InChIKeyYAEKSAQPMXIOQF-QKPAOTATSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol (CID 15389575) is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol is C[Si](C)(C)c1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol?
The InChIKey is YAEKSAQPMXIOQF-QKPAOTATSA-N. The full InChI is InChI=1S/C16H27NO4Si/c1-22(2,3)12-6-4-11(5-7-12)8-17-9-14(19)16(21)15(20)13(17)10-18/h4-7,13-16,18-21H,8-10H2,1-3H3/t13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-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 (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-trimethylsilylphenyl)methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 15389575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).