3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one

C17H23Cl2NO2 — CID 110416463

IUPAC3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCOCC1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H23Cl2NO2/c1-2-22-12-14-4-3-9-20(11-14)17(21)8-6-13-5-7-15(18)16(19)10-13/h5,7,10,14H,2-4,6,8-9,11-12H2,1H3
InChIKeyFUHXZHGDOPCIJR-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.20
Rot. Bonds6

About 3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one

3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 110416463) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID110416463
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC Name3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCOCC1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H23Cl2NO2/c1-2-22-12-14-4-3-9-20(11-14)17(21)8-6-13-5-7-15(18)16(19)10-13/h5,7,10,14H,2-4,6,8-9,11-12H2,1H3
InChIKeyFUHXZHGDOPCIJR-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-4-[3-(ethoxymethyl)piperidin-1-yl]butane-1,4-dione
CID 110610376
4-(3,4-dichlorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119397212
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride
CID 119379855
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110610379
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110418717
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 110610297
2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 47735745

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one (CID 110416463) is 3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one is CCOCC1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is FUHXZHGDOPCIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c1-2-22-12-14-4-3-9-20(11-14)17(21)8-6-13-5-7-15(18)16(19)10-13/h5,7,10,14H,2-4,6,8-9,11-12H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one?
3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 344.28 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110416463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).