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

C19H23NO4 — CID 11099542

IUPAC(2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO4/c21-12-15-18(23)19(24)16(22)11-20(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-19,21-24H,11-12H2/t15-,16+,18-,19-/m1/s1
InChIKeyKIEOHSDEGULDGN-UKBAYJJMSA-N
MW329.40 g/mol
LogP0.54
Rot. Bonds4

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

(2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 11099542) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID11099542
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO4/c21-12-15-18(23)19(24)16(22)11-20(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-19,21-24H,11-12H2/t15-,16+,18-,19-/m1/s1
InChIKeyKIEOHSDEGULDGN-UKBAYJJMSA-N
XLogP0.54
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.54
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-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 11099542) is (2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol is OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is KIEOHSDEGULDGN-UKBAYJJMSA-N. The full InChI is InChI=1S/C19H23NO4/c21-12-15-18(23)19(24)16(22)11-20(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-19,21-24H,11-12H2/t15-,16+,18-,19-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3R,4R,5S)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 329.40 g/mol, XLogP of 0.54, 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)-1-benzhydryl-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 11099542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).