3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one

C16H20N2O2 — CID 10423377

IUPAC3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one
SMILESO=c1[nH]c(CCN2CCC(O)CC2)cc2ccccc12
InChIInChI=1S/C16H20N2O2/c19-14-6-9-18(10-7-14)8-5-13-11-12-3-1-2-4-15(12)16(20)17-13/h1-4,11,14,19H,5-10H2,(H,17,20)
InChIKeyNAPGQYRCBAXPOF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.53
Rot. Bonds3

About 3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one

3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one (PubChem CID 10423377) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one
PubChem CID10423377
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one
SMILESO=c1[nH]c(CCN2CCC(O)CC2)cc2ccccc12
InChIInChI=1S/C16H20N2O2/c19-14-6-9-18(10-7-14)8-5-13-11-12-3-1-2-4-15(12)16(20)17-13/h1-4,11,14,19H,5-10H2,(H,17,20)
InChIKeyNAPGQYRCBAXPOF-UHFFFAOYSA-N
XLogP1.53
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one
CID 10378544
3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one
CID 10333441
3-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]-2H-isoquinolin-1-one
CID 10313560
N-[4-(4-methylpiperidin-1-yl)butyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 86990919
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136733737
3-[(1-ethylpiperidin-4-yl)amino]-2H-isoquinolin-1-one
CID 61039289
3-(2-pyrrolidin-1-ylethylamino)-2H-isoquinolin-1-one
CID 62642560
3-(4-propylpiperazin-1-yl)-2H-isoquinolin-1-one
CID 22931113
3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-isoquinolin-1-one
CID 63310153
1-[2-(2-aminophenyl)ethyl]piperidin-4-ol
CID 62495896
3-[2-(5-methyl-5-phenyl-1,4-dihydroimidazol-2-yl)ethyl]-2H-isoquinolin-1-one
CID 163515628
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
CID 11145276

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one?
The IUPAC name of 3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one (CID 10423377) is 3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one?
The canonical SMILES for 3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one is O=c1[nH]c(CCN2CCC(O)CC2)cc2ccccc12.
What is the InChIKey of 3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one?
The InChIKey is NAPGQYRCBAXPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-14-6-9-18(10-7-14)8-5-13-11-12-3-1-2-4-15(12)16(20)17-13/h1-4,11,14,19H,5-10H2,(H,17,20).
What are the key properties of 3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one?
3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxypiperidin-1-yl)ethyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 10423377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).