(2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol

C14H21NO3 — CID 15945971

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CCN1CCc1ccccc1
InChIInChI=1S/C14H21NO3/c16-10-12-14(18)13(17)7-9-15(12)8-6-11-4-2-1-3-5-11/h1-5,12-14,16-18H,6-10H2/t12-,13-,14-/m1/s1
InChIKeyQLWIXCJYZNKSAT-MGPQQGTHSA-N
MW251.33 g/mol
LogP0.02
Rot. Bonds4

About (2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol

(2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol (PubChem CID 15945971) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol
PubChem CID15945971
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CCN1CCc1ccccc1
InChIInChI=1S/C14H21NO3/c16-10-12-14(18)13(17)7-9-15(12)8-6-11-4-2-1-3-5-11/h1-5,12-14,16-18H,6-10H2/t12-,13-,14-/m1/s1
InChIKeyQLWIXCJYZNKSAT-MGPQQGTHSA-N
XLogP0.02
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol (CID 15945971) is (2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol is OC[C@@H]1[C@@H](O)[C@H](O)CCN1CCc1ccccc1.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol?
The InChIKey is QLWIXCJYZNKSAT-MGPQQGTHSA-N. The full InChI is InChI=1S/C14H21NO3/c16-10-12-14(18)13(17)7-9-15(12)8-6-11-4-2-1-3-5-11/h1-5,12-14,16-18H,6-10H2/t12-,13-,14-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol?
(2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol has a molecular weight of 251.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol is sourced from PubChem (CID 15945971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).