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

C12H26N2O6 — CID 159190224

IUPAC(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
SMILESOCC1CNC[C@@H](O)[C@@H]1O.OC[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/2C6H13NO3/c2*8-3-4-1-7-2-5(9)6(4)10/h2*4-10H,1-3H2/t4?,5-,6-;4-,5-,6-/m11/s1
InChIKeyKNZKAWWQOIJOAC-BQSPSRIZSA-N
MW294.35 g/mol
LogP-4.16
Rot. Bonds2

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

(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 159190224) has the molecular formula C12H26N2O6 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
PubChem CID159190224
Molecular FormulaC12H26N2O6
Molecular Weight294.35 g/mol
Exact Mass294.18
IUPAC Name(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
SMILESOCC1CNC[C@@H](O)[C@@H]1O.OC[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/2C6H13NO3/c2*8-3-4-1-7-2-5(9)6(4)10/h2*4-10H,1-3H2/t4?,5-,6-;4-,5-,6-/m11/s1
InChIKeyKNZKAWWQOIJOAC-BQSPSRIZSA-N
XLogP-4.16
TPSA145.44 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.35
LogP ≤ 5-4.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol (CID 159190224) is (3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol is OCC1CNC[C@@H](O)[C@@H]1O.OC[C@H]1CNC[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is KNZKAWWQOIJOAC-BQSPSRIZSA-N. The full InChI is InChI=1S/2C6H13NO3/c2*8-3-4-1-7-2-5(9)6(4)10/h2*4-10H,1-3H2/t4?,5-,6-;4-,5-,6-/m11/s1.
What are the key properties of (3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol?
(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 294.35 g/mol, XLogP of -4.16, 2 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 159190224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).