(3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol

C7H15NO4 — CID 24858444

IUPAC(3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol
SMILESOC[C@H](O)[C@@]1(O)CCNC[C@H]1O
InChIInChI=1S/C7H15NO4/c9-4-6(11)7(12)1-2-8-3-5(7)10/h5-6,8-12H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyIRFJUFYOWXVCEX-DSYKOEDSSA-N
MW177.20 g/mol
LogP-2.58
Rot. Bonds2

About (3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol

(3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol (PubChem CID 24858444) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol
PubChem CID24858444
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol
SMILESOC[C@H](O)[C@@]1(O)CCNC[C@H]1O
InChIInChI=1S/C7H15NO4/c9-4-6(11)7(12)1-2-8-3-5(7)10/h5-6,8-12H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyIRFJUFYOWXVCEX-DSYKOEDSSA-N
XLogP-2.58
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

Afegostat
CID 447607
5-(Hydroxymethyl)piperidine-3,4-diol
CID 4452693
(2R/S,3S,4R,5R)-5-(Hydroxymethyl)piperidine-2,3,4-triol
CID 10197840
D-Galacto-Isofagomine
CID 10240946
(2r,3s,4r,5r)-5-(Hydroxymethyl)piperidine-2,3,4-Triol
CID 11987879
5-epi-Isofagomine
CID 10820691
(3S,4S,5S)-5-(Hydroxymethyl)piperidine-3,4-diol
CID 44578588
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-methylpiperidine-3,4-diol
CID 101735280
(3R,4R,5R)-5-(1-hydroxyethyl)piperidine-3,4-diol
CID 51356185
US8604206, (3R,4R,5S)-5(2-hydroxypropan-2-yl)piperidine-3,4-diol
CID 51356190
(3S,4S,5R)-5-(Hydroxymethyl)piperidine-3,4-diol
CID 15235482
(3R,4S,5S)-5-(hydroxymethyl)piperidine-3,4-diol
CID 25178019

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol (CID 24858444) is (3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol is OC[C@H](O)[C@@]1(O)CCNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol?
The InChIKey is IRFJUFYOWXVCEX-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H15NO4/c9-4-6(11)7(12)1-2-8-3-5(7)10/h5-6,8-12H,1-4H2/t5-,6+,7-/m1/s1.
What are the key properties of (3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol?
(3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol has a molecular weight of 177.20 g/mol, XLogP of -2.58, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol is sourced from PubChem (CID 24858444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).