1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol

C16H18N2O3 — CID 106541340

IUPAC1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol
SMILESOC1CCCN(c2nccc3cc4c(cc23)OCCO4)C1
InChIInChI=1S/C16H18N2O3/c19-12-2-1-5-18(10-12)16-13-9-15-14(20-6-7-21-15)8-11(13)3-4-17-16/h3-4,8-9,12,19H,1-2,5-7,10H2
InChIKeyBCPUNRLEGJXVRP-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.97
Rot. Bonds1

About 1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol

1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol (PubChem CID 106541340) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol
PubChem CID106541340
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol
SMILESOC1CCCN(c2nccc3cc4c(cc23)OCCO4)C1
InChIInChI=1S/C16H18N2O3/c19-12-2-1-5-18(10-12)16-13-9-15-14(20-6-7-21-15)8-11(13)3-4-17-16/h3-4,8-9,12,19H,1-2,5-7,10H2
InChIKeyBCPUNRLEGJXVRP-UHFFFAOYSA-N
XLogP1.97
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol?
The IUPAC name of 1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol (CID 106541340) is 1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol.
What is the SMILES notation for 1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol?
The canonical SMILES for 1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol is OC1CCCN(c2nccc3cc4c(cc23)OCCO4)C1.
What is the InChIKey of 1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol?
The InChIKey is BCPUNRLEGJXVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-12-2-1-5-18(10-12)16-13-9-15-14(20-6-7-21-15)8-11(13)3-4-17-16/h3-4,8-9,12,19H,1-2,5-7,10H2.
What are the key properties of 1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol?
1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol has a molecular weight of 286.33 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol is sourced from PubChem (CID 106541340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).