3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one

C17H24N2O2 — CID 162353369

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCc2ccccc21)N1CCC(O)CC1
InChIInChI=1S/C17H24N2O2/c20-15-7-11-19(12-8-15)17(21)9-13-18-10-3-5-14-4-1-2-6-16(14)18/h1-2,4,6,15,20H,3,5,7-13H2
InChIKeyBKEFSXQCBOSFFO-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.81
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one

3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 162353369) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID162353369
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCc2ccccc21)N1CCC(O)CC1
InChIInChI=1S/C17H24N2O2/c20-15-7-11-19(12-8-15)17(21)9-13-18-10-3-5-14-4-1-2-6-16(14)18/h1-2,4,6,15,20H,3,5,7-13H2
InChIKeyBKEFSXQCBOSFFO-UHFFFAOYSA-N
XLogP1.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
1,2-Propanediol, 3-(3,4-dihydro-1(2H)-quinolinyl)-
CID 458694
N-[(2R,4S)-2-methyl-1-(1-oxopropyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 658600
N-((2R,4S)-1-butyryl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 658601
N-(1-butanoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 3122734
2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
CID 54816802
3-Hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 71748858
3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 109013312
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014373
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032820
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 162353390
N-(2-methyl-1-propionyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 4271604

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 162353369) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one is O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is BKEFSXQCBOSFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-15-7-11-19(12-8-15)17(21)9-13-18-10-3-5-14-4-1-2-6-16(14)18/h1-2,4,6,15,20H,3,5,7-13H2.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 162353369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).