1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone

C14H17Cl2NO2 — CID 43796259

IUPAC1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2NO2/c1-19-11-4-6-17(7-5-11)9-14(18)12-3-2-10(15)8-13(12)16/h2-3,8,11H,4-7,9H2,1H3
InChIKeyOQKJIDNEFFOTIZ-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.29
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone

1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 43796259) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
PubChem CID43796259
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2NO2/c1-19-11-4-6-17(7-5-11)9-14(18)12-3-2-10(15)8-13(12)16/h2-3,8,11H,4-7,9H2,1H3
InChIKeyOQKJIDNEFFOTIZ-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 129368588
1-(2,4-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62943194
1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone
CID 103535548
1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025324
1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;hydrochloride
CID 45052844
tert-butyl 4-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 22143020
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 115963362
1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
CID 43227584
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 43228705
1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one
CID 62628820

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone (CID 43796259) is 1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(CC(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is OQKJIDNEFFOTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-19-11-4-6-17(7-5-11)9-14(18)12-3-2-10(15)8-13(12)16/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone?
1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 302.20 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43796259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).