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

C17H24N2O2 — CID 162353378

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCc2ccccc21)N1CCCC(O)C1
InChIInChI=1S/C17H24N2O2/c20-15-7-4-11-19(13-15)17(21)9-12-18-10-3-6-14-5-1-2-8-16(14)18/h1-2,5,8,15,20H,3-4,6-7,9-13H2
InChIKeyZJCVMKKAPWXWHV-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.81
Rot. Bonds3

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

3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 162353378) 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-(3-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
PubChem CID162353378
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCc2ccccc21)N1CCCC(O)C1
InChIInChI=1S/C17H24N2O2/c20-15-7-4-11-19(13-15)17(21)9-12-18-10-3-6-14-5-1-2-8-16(14)18/h1-2,5,8,15,20H,3-4,6-7,9-13H2
InChIKeyZJCVMKKAPWXWHV-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one (CID 162353378) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one is O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is ZJCVMKKAPWXWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-15-7-4-11-19(13-15)17(21)9-12-18-10-3-6-14-5-1-2-8-16(14)18/h1-2,5,8,15,20H,3-4,6-7,9-13H2.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one?
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-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-(3-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 162353378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).