(3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol

C6H13NO3 — CID 10240946

IUPAC(3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@H]1CNC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyQPYJXFZUIJOGNX-PBXRRBTRSA-N
MW147.17 g/mol
LogP-2.08
Rot. Bonds1

About (3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol

(3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 10240946) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol
PubChem CID10240946
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@H]1CNC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyQPYJXFZUIJOGNX-PBXRRBTRSA-N
XLogP-2.08
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol (CID 10240946) is (3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol is OC[C@H]1CNC[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is QPYJXFZUIJOGNX-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1.
What are the key properties of (3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol?
(3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 147.17 g/mol, XLogP of -2.08, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 10240946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).