(3S,4R)-4-piperazin-1-yloxolan-3-ol

C8H16N2O2 — CID 126846592

IUPAC(3S,4R)-4-piperazin-1-yloxolan-3-ol
SMILESO[C@@H]1COC[C@H]1N1CCNCC1
InChIInChI=1S/C8H16N2O2/c11-8-6-12-5-7(8)10-3-1-9-2-4-10/h7-9,11H,1-6H2/t7-,8-/m1/s1
InChIKeyIGCYCVMOKYCNSX-HTQZYQBOSA-N
MW172.23 g/mol
LogP-1.35
Rot. Bonds1

About (3S,4R)-4-piperazin-1-yloxolan-3-ol

(3S,4R)-4-piperazin-1-yloxolan-3-ol (PubChem CID 126846592) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3S,4R)-4-piperazin-1-yloxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-piperazin-1-yloxolan-3-ol
PubChem CID126846592
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3S,4R)-4-piperazin-1-yloxolan-3-ol
SMILESO[C@@H]1COC[C@H]1N1CCNCC1
InChIInChI=1S/C8H16N2O2/c11-8-6-12-5-7(8)10-3-1-9-2-4-10/h7-9,11H,1-6H2/t7-,8-/m1/s1
InChIKeyIGCYCVMOKYCNSX-HTQZYQBOSA-N
XLogP-1.35
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-piperazin-1-yloxolan-3-ol?
The IUPAC name of (3S,4R)-4-piperazin-1-yloxolan-3-ol (CID 126846592) is (3S,4R)-4-piperazin-1-yloxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-piperazin-1-yloxolan-3-ol?
The canonical SMILES for (3S,4R)-4-piperazin-1-yloxolan-3-ol is O[C@@H]1COC[C@H]1N1CCNCC1.
What is the InChIKey of (3S,4R)-4-piperazin-1-yloxolan-3-ol?
The InChIKey is IGCYCVMOKYCNSX-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-8-6-12-5-7(8)10-3-1-9-2-4-10/h7-9,11H,1-6H2/t7-,8-/m1/s1.
What are the key properties of (3S,4R)-4-piperazin-1-yloxolan-3-ol?
(3S,4R)-4-piperazin-1-yloxolan-3-ol has a molecular weight of 172.23 g/mol, XLogP of -1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-piperazin-1-yloxolan-3-ol is sourced from PubChem (CID 126846592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).