1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one

C17H24N2O2 — CID 62211445

IUPAC1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C17H24N2O2/c20-16-3-2-14-7-10-19(12-15(14)11-16)17(21)4-1-13-5-8-18-9-6-13/h2-3,11,13,18,20H,1,4-10,12H2
InChIKeyXJBAKDRLHQSIAX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.06
Rot. Bonds3

About 1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one

1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one (PubChem CID 62211445) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one
PubChem CID62211445
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C17H24N2O2/c20-16-3-2-14-7-10-19(12-15(14)11-16)17(21)4-1-13-5-8-18-9-6-13/h2-3,11,13,18,20H,1,4-10,12H2
InChIKeyXJBAKDRLHQSIAX-UHFFFAOYSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one with MolForge

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Related Compounds

3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 51124376
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylbutan-1-one
CID 119733383
5-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 54876383
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxyethanone
CID 60968764
3-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 91913415
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
CID 93375324
3-(2-aminophenyl)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 120609319
cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47180816
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-3-ylpropan-1-one
CID 57445005
2-(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
CID 54876371
2-amino-2-ethyl-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 79814902
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119679792

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one (CID 62211445) is 1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one is O=C(CCC1CCNCC1)N1CCc2ccc(O)cc2C1.
What is the InChIKey of 1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one?
The InChIKey is XJBAKDRLHQSIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16-3-2-14-7-10-19(12-15(14)11-16)17(21)4-1-13-5-8-18-9-6-13/h2-3,11,13,18,20H,1,4-10,12H2.
What are the key properties of 1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one?
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 62211445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).