6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one

C19H22N2O2 — CID 70245875

IUPAC6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one
SMILESO=C1c2cccc3c(O)ccc(c23)CN1CCN1CCCCC1
InChIInChI=1S/C19H22N2O2/c22-17-8-7-14-13-21(12-11-20-9-2-1-3-10-20)19(23)16-6-4-5-15(17)18(14)16/h4-8,22H,1-3,9-13H2
InChIKeyWWGNVVVMCRAXLZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.99
Rot. Bonds3

About 6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one

6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one (PubChem CID 70245875) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one.

Molecular Properties

Compound Name6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one
PubChem CID70245875
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one
SMILESO=C1c2cccc3c(O)ccc(c23)CN1CCN1CCCCC1
InChIInChI=1S/C19H22N2O2/c22-17-8-7-14-13-21(12-11-20-9-2-1-3-10-20)19(23)16-6-4-5-15(17)18(14)16/h4-8,22H,1-3,9-13H2
InChIKeyWWGNVVVMCRAXLZ-UHFFFAOYSA-N
XLogP2.99
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroxypropyl)-6-hydroxy-3H-benzo[de]isoquinolin-1-one
CID 70241000
2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 115773461
6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione
CID 6125753
2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
CID 3389100
N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide
CID 121289138
3-methoxy-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one
CID 90644472
2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one
CID 166071547
3-[[2-[3-oxo-2-(2-piperidin-1-ylethyl)-1H-isoindol-5-yl]acetyl]amino]propanoic acid
CID 139824301
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide
CID 54733179
6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
CID 82891912
5-hydroxy-4-[4-(piperidin-1-ylmethyl)phenyl]-2H-isoquinolin-1-one
CID 71377199
2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
CID 115773441

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one?
The IUPAC name of 6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one (CID 70245875) is 6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one.
What is the SMILES notation for 6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one?
The canonical SMILES for 6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one is O=C1c2cccc3c(O)ccc(c23)CN1CCN1CCCCC1.
What is the InChIKey of 6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one?
The InChIKey is WWGNVVVMCRAXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-17-8-7-14-13-21(12-11-20-9-2-1-3-10-20)19(23)16-6-4-5-15(17)18(14)16/h4-8,22H,1-3,9-13H2.
What are the key properties of 6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one?
6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one has a molecular weight of 310.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(2-piperidin-1-ylethyl)-3H-benzo[de]isoquinolin-1-one is sourced from PubChem (CID 70245875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).