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

C9H17NO2 — CID 55274154

IUPAC(3S,4R)-4-piperidin-1-yloxolan-3-ol
SMILESO[C@@H]1COC[C@H]1N1CCCCC1
InChIInChI=1S/C9H17NO2/c11-9-7-12-6-8(9)10-4-2-1-3-5-10/h8-9,11H,1-7H2/t8-,9-/m1/s1
InChIKeyBFXAOKBKIXUCQK-RKDXNWHRSA-N
MW171.24 g/mol
LogP0.23
Rot. Bonds1

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

(3S,4R)-4-piperidin-1-yloxolan-3-ol (PubChem CID 55274154) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3S,4R)-4-piperidin-1-yloxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-piperidin-1-yloxolan-3-ol
PubChem CID55274154
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3S,4R)-4-piperidin-1-yloxolan-3-ol
SMILESO[C@@H]1COC[C@H]1N1CCCCC1
InChIInChI=1S/C9H17NO2/c11-9-7-12-6-8(9)10-4-2-1-3-5-10/h8-9,11H,1-7H2/t8-,9-/m1/s1
InChIKeyBFXAOKBKIXUCQK-RKDXNWHRSA-N
XLogP0.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-piperidin-1-yloxolan-3-ol?
The IUPAC name of (3S,4R)-4-piperidin-1-yloxolan-3-ol (CID 55274154) is (3S,4R)-4-piperidin-1-yloxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-piperidin-1-yloxolan-3-ol?
The canonical SMILES for (3S,4R)-4-piperidin-1-yloxolan-3-ol is O[C@@H]1COC[C@H]1N1CCCCC1.
What is the InChIKey of (3S,4R)-4-piperidin-1-yloxolan-3-ol?
The InChIKey is BFXAOKBKIXUCQK-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO2/c11-9-7-12-6-8(9)10-4-2-1-3-5-10/h8-9,11H,1-7H2/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-piperidin-1-yloxolan-3-ol?
(3S,4R)-4-piperidin-1-yloxolan-3-ol has a molecular weight of 171.24 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-piperidin-1-yloxolan-3-ol is sourced from PubChem (CID 55274154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).