(3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol

C9H18N2O3 — CID 175662484

IUPAC(3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol
SMILESO[C@@H]1[C@H](O)COC[C@H]1N1CCNCC1
InChIInChI=1S/C9H18N2O3/c12-8-6-14-5-7(9(8)13)11-3-1-10-2-4-11/h7-10,12-13H,1-6H2/t7-,8-,9+/m1/s1
InChIKeyBCYARMSGAIYHQG-HLTSFMKQSA-N
MW202.25 g/mol
LogP-1.99
Rot. Bonds1

About (3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol

(3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol (PubChem CID 175662484) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol
PubChem CID175662484
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol
SMILESO[C@@H]1[C@H](O)COC[C@H]1N1CCNCC1
InChIInChI=1S/C9H18N2O3/c12-8-6-14-5-7(9(8)13)11-3-1-10-2-4-11/h7-10,12-13H,1-6H2/t7-,8-,9+/m1/s1
InChIKeyBCYARMSGAIYHQG-HLTSFMKQSA-N
XLogP-1.99
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol?
The IUPAC name of (3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol (CID 175662484) is (3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol is O[C@@H]1[C@H](O)COC[C@H]1N1CCNCC1.
What is the InChIKey of (3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol?
The InChIKey is BCYARMSGAIYHQG-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H18N2O3/c12-8-6-14-5-7(9(8)13)11-3-1-10-2-4-11/h7-10,12-13H,1-6H2/t7-,8-,9+/m1/s1.
What are the key properties of (3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol?
(3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol has a molecular weight of 202.25 g/mol, XLogP of -1.99, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-piperazin-1-yloxane-3,4-diol is sourced from PubChem (CID 175662484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).