(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol

C8H17NO3 — CID 51356190

IUPAC(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol
SMILESCC(C)(O)[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO3/c1-8(2,12)5-3-9-4-6(10)7(5)11/h5-7,9-12H,3-4H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyPVGDVTWSNAIFDH-RRKCRQDMSA-N
MW175.23 g/mol
LogP-1.30
Rot. Bonds1

About (3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol

(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol (PubChem CID 51356190) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol
PubChem CID51356190
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol
SMILESCC(C)(O)[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO3/c1-8(2,12)5-3-9-4-6(10)7(5)11/h5-7,9-12H,3-4H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyPVGDVTWSNAIFDH-RRKCRQDMSA-N
XLogP-1.30
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol (CID 51356190) is (3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol is CC(C)(O)[C@H]1CNC[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol?
The InChIKey is PVGDVTWSNAIFDH-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,12)5-3-9-4-6(10)7(5)11/h5-7,9-12H,3-4H2,1-2H3/t5-,6+,7+/m0/s1.
What are the key properties of (3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol?
(3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol has a molecular weight of 175.23 g/mol, XLogP of -1.30, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-(2-hydroxypropan-2-yl)piperidine-3,4-diol is sourced from PubChem (CID 51356190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).