3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one

C16H20N2O2 — CID 10333441

IUPAC3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one
SMILESO=c1[nH]c(C2CCN(CCO)CC2)cc2ccccc12
InChIInChI=1S/C16H20N2O2/c19-10-9-18-7-5-12(6-8-18)15-11-13-3-1-2-4-14(13)16(20)17-15/h1-4,11-12,19H,5-10H2,(H,17,20)
InChIKeyZUWCWDVCTQUWCN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.70
Rot. Bonds3

About 3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one

3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one (PubChem CID 10333441) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one
PubChem CID10333441
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one
SMILESO=c1[nH]c(C2CCN(CCO)CC2)cc2ccccc12
InChIInChI=1S/C16H20N2O2/c19-10-9-18-7-5-12(6-8-18)15-11-13-3-1-2-4-14(13)16(20)17-15/h1-4,11-12,19H,5-10H2,(H,17,20)
InChIKeyZUWCWDVCTQUWCN-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-Fluoro-2-(3-Piperidin-1-Ylpropanoyl)-1,3,4,5-Tetrahydrobenzo[c][1,6]naphthyridin-6(2h)-One
CID 9924905
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 14783862
N-cyclohexyl-1-(2-methylbenzoyl)-4-piperidinecarboxamide
CID 801556
1-(2-Methylbenzoyl)-4-piperidinecarboxamide
CID 1360579
3-(2-Piperidin-1-yl-acetyl)-1,3,4,5-tetrahydro-2H-benzo[c][1,7]naphthyridin-6-one
CID 9945164
2-(2-Piperidin-1-yl-acetyl)-1,3,4,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-6-one
CID 9967081
2-(4-Piperidin-1-yl-butyryl)-1,3,4,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-6-one
CID 10155051
(R)-3-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethyl)-5-methylisoquinolin-1(2H)-one
CID 10424118
2-(3-Piperidin-1-yl-propionyl)-1,3,4,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-6-one
CID 44318172
N-(1-{[4-(2-hydroxyethyl)-1-piperazinyl]carbonyl}-2-phenylvinyl)benzamide
CID 1041235
N-[3-(4-morpholinyl)propyl]-2-biphenylcarboxamide
CID 2199608
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 2985306

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one?
The IUPAC name of 3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one (CID 10333441) is 3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one.
What is the SMILES notation for 3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one?
The canonical SMILES for 3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one is O=c1[nH]c(C2CCN(CCO)CC2)cc2ccccc12.
What is the InChIKey of 3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one?
The InChIKey is ZUWCWDVCTQUWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-10-9-18-7-5-12(6-8-18)15-11-13-3-1-2-4-14(13)16(20)17-15/h1-4,11-12,19H,5-10H2,(H,17,20).
What are the key properties of 3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one?
3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one is sourced from PubChem (CID 10333441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).