1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene

C23H29FN2O2 — CID 155741816

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene
SMILESCN1CCC(OCC(=O)N2CCc3ccccc3C2)CC1.Fc1ccccc1
InChIInChI=1S/C17H24N2O2.C6H5F/c1-18-9-7-16(8-10-18)21-13-17(20)19-11-6-14-4-2-3-5-15(14)12-19;7-6-4-2-1-3-5-6/h2-5,16H,6-13H2,1H3;1-5H
InChIKeyAFXLMKDAKMCJSO-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.51
Rot. Bonds3

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene (PubChem CID 155741816) has the molecular formula C23H29FN2O2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene
PubChem CID155741816
Molecular FormulaC23H29FN2O2
Molecular Weight384.49 g/mol
Exact Mass384.22
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene
SMILESCN1CCC(OCC(=O)N2CCc3ccccc3C2)CC1.Fc1ccccc1
InChIInChI=1S/C17H24N2O2.C6H5F/c1-18-9-7-16(8-10-18)21-13-17(20)19-11-6-14-4-2-3-5-15(14)12-19;7-6-4-2-1-3-5-6/h2-5,16H,6-13H2,1H3;1-5H
InChIKeyAFXLMKDAKMCJSO-UHFFFAOYSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone
CID 63876701
1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone
CID 154870055
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-yloxyethanone
CID 63877593
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 108944341
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] benzoate
CID 2365522
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102788385
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110852332
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2364370
(2R)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]propanoic acid
CID 83194342
1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one
CID 136564299

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene (CID 155741816) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene is CN1CCC(OCC(=O)N2CCc3ccccc3C2)CC1.Fc1ccccc1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene?
The InChIKey is AFXLMKDAKMCJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C6H5F/c1-18-9-7-16(8-10-18)21-13-17(20)19-11-6-14-4-2-3-5-15(14)12-19;7-6-4-2-1-3-5-6/h2-5,16H,6-13H2,1H3;1-5H.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene has a molecular weight of 384.49 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene is sourced from PubChem (CID 155741816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).