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

C14H21NO4 — CID 166524493

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol
SMILESOC[C@@]1(CCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H21NO4/c16-9-14(7-6-10-4-2-1-3-5-10)13(19)12(18)11(17)8-15-14/h1-5,11-13,15-19H,6-9H2/t11-,12+,13-,14+/m0/s1
InChIKeyUJNGRUVYUAYPHC-RFQIPJPRSA-N
MW267.32 g/mol
LogP-0.96
Rot. Bonds4

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

(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol (PubChem CID 166524493) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol
PubChem CID166524493
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol
SMILESOC[C@@]1(CCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H21NO4/c16-9-14(7-6-10-4-2-1-3-5-10)13(19)12(18)11(17)8-15-14/h1-5,11-13,15-19H,6-9H2/t11-,12+,13-,14+/m0/s1
InChIKeyUJNGRUVYUAYPHC-RFQIPJPRSA-N
XLogP-0.96
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol (CID 166524493) is (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol is OC[C@@]1(CCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol?
The InChIKey is UJNGRUVYUAYPHC-RFQIPJPRSA-N. The full InChI is InChI=1S/C14H21NO4/c16-9-14(7-6-10-4-2-1-3-5-10)13(19)12(18)11(17)8-15-14/h1-5,11-13,15-19H,6-9H2/t11-,12+,13-,14+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol has a molecular weight of 267.32 g/mol, XLogP of -0.96, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 166524493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).