(2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

C20H25NO4 — CID 10337503

IUPAC(2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO4/c22-13-17-19(24)20(25)18(23)12-21(17)11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-20,22-25H,11-13H2/t17-,18+,19-,20-/m1/s1
InChIKeyYBTIYLQLXZENDC-IYWMVGAKSA-N
MW343.42 g/mol
LogP0.58
Rot. Bonds5

About (2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

(2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 10337503) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID10337503
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO4/c22-13-17-19(24)20(25)18(23)12-21(17)11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-20,22-25H,11-13H2/t17-,18+,19-,20-/m1/s1
InChIKeyYBTIYLQLXZENDC-IYWMVGAKSA-N
XLogP0.58
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 10337503) is (2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol is OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is YBTIYLQLXZENDC-IYWMVGAKSA-N. The full InChI is InChI=1S/C20H25NO4/c22-13-17-19(24)20(25)18(23)12-21(17)11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-20,22-25H,11-13H2/t17-,18+,19-,20-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 343.42 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1-(2,2-diphenylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 10337503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).