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

C14H19NO3 — CID 117376569

IUPAC6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol
SMILESOc1c(CC2CCCNC2)ccc2c1OCCO2
InChIInChI=1S/C14H19NO3/c16-13-11(8-10-2-1-5-15-9-10)3-4-12-14(13)18-7-6-17-12/h3-4,10,15-16H,1-2,5-9H2
InChIKeyGDRNJACDANJDAA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.71
Rot. Bonds2

About 6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol

6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol (PubChem CID 117376569) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol.

Molecular Properties

Compound Name6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol
PubChem CID117376569
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol
SMILESOc1c(CC2CCCNC2)ccc2c1OCCO2
InChIInChI=1S/C14H19NO3/c16-13-11(8-10-2-1-5-15-9-10)3-4-12-14(13)18-7-6-17-12/h3-4,10,15-16H,1-2,5-9H2
InChIKeyGDRNJACDANJDAA-UHFFFAOYSA-N
XLogP1.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117456203
3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)piperidine
CID 117371533
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117456202
3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117452568
2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
CID 84791352
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol
CID 117467242
3-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]piperidine
CID 117460257
2-fluoro-4-nitro-6-(piperidin-3-ylmethyl)phenol
CID 117388704

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol?
The IUPAC name of 6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol (CID 117376569) is 6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol.
What is the SMILES notation for 6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol?
The canonical SMILES for 6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol is Oc1c(CC2CCCNC2)ccc2c1OCCO2.
What is the InChIKey of 6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol?
The InChIKey is GDRNJACDANJDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13-11(8-10-2-1-5-15-9-10)3-4-12-14(13)18-7-6-17-12/h3-4,10,15-16H,1-2,5-9H2.
What are the key properties of 6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol?
6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol has a molecular weight of 249.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol is sourced from PubChem (CID 117376569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).