4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol

C13H17NO3 — CID 18787260

IUPAC4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol
SMILESOC1(c2cccc3c2OCCO3)CCNCC1
InChIInChI=1S/C13H17NO3/c15-13(4-6-14-7-5-13)10-2-1-3-11-12(10)17-9-8-16-11/h1-3,14-15H,4-9H2
InChIKeyGVGGLXHEJXEOSM-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.03
Rot. Bonds1

About 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol

4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol (PubChem CID 18787260) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol
PubChem CID18787260
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol
SMILESOC1(c2cccc3c2OCCO3)CCNCC1
InChIInChI=1S/C13H17NO3/c15-13(4-6-14-7-5-13)10-2-1-3-11-12(10)17-9-8-16-11/h1-3,14-15H,4-9H2
InChIKeyGVGGLXHEJXEOSM-UHFFFAOYSA-N
XLogP1.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol (CID 18787260) is 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol is OC1(c2cccc3c2OCCO3)CCNCC1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol?
The InChIKey is GVGGLXHEJXEOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(4-6-14-7-5-13)10-2-1-3-11-12(10)17-9-8-16-11/h1-3,14-15H,4-9H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol?
4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol has a molecular weight of 235.28 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol is sourced from PubChem (CID 18787260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).