3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol

C13H17NO3 — CID 63586788

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol
SMILESOC1(c2ccc3c(c2)OCCO3)CCCNC1
InChIInChI=1S/C13H17NO3/c15-13(4-1-5-14-9-13)10-2-3-11-12(8-10)17-7-6-16-11/h2-3,8,14-15H,1,4-7,9H2
InChIKeyCFBONBHRAGUFQB-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.03
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol

3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol (PubChem CID 63586788) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol
PubChem CID63586788
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol
SMILESOC1(c2ccc3c(c2)OCCO3)CCCNC1
InChIInChI=1S/C13H17NO3/c15-13(4-1-5-14-9-13)10-2-3-11-12(8-10)17-7-6-16-11/h2-3,8,14-15H,1,4-7,9H2
InChIKeyCFBONBHRAGUFQB-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

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol (CID 63586788) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol is OC1(c2ccc3c(c2)OCCO3)CCCNC1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol?
The InChIKey is CFBONBHRAGUFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(4-1-5-14-9-13)10-2-3-11-12(8-10)17-7-6-16-11/h2-3,8,14-15H,1,4-7,9H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-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 3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol is sourced from PubChem (CID 63586788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).