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

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Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-ol
CID 55213394
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepan-4-ol
CID 103982844
3-(3,4-difluorophenyl)piperidin-3-ol
CID 63588300
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine
CID 83822992
3-(4-fluorophenyl)piperidin-3-ol
CID 10198053
3-(4-aminophenyl)piperidin-3-ol
CID 83878179
3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
CID 82285836
3-(1H-indol-5-yl)piperidin-3-ol
CID 81444057
3-thiophen-3-ylpiperidin-3-ol
CID 65099666
2-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 66465592
3-quinolin-7-ylpiperidin-3-ol
CID 81216263
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402

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).