1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone

C16H21Cl2NO — CID 114594194

IUPAC1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)C(C)N(CC(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H21Cl2NO/c1-10-6-11(2)12(3)19(8-10)9-16(20)14-5-4-13(17)7-15(14)18/h4-5,7,10-12H,6,8-9H2,1-3H3
InChIKeyRDANMKQXHOSQKW-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.54
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone

1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone (PubChem CID 114594194) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
PubChem CID114594194
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)C(C)N(CC(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H21Cl2NO/c1-10-6-11(2)12(3)19(8-10)9-16(20)14-5-4-13(17)7-15(14)18/h4-5,7,10-12H,6,8-9H2,1-3H3
InChIKeyRDANMKQXHOSQKW-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594153
2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 114597986
N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592180
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-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796259
1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594142
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871
N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592183
1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025324
1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752435
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114593971

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone (CID 114594194) is 1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone is CC1CC(C)C(C)N(CC(=O)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The InChIKey is RDANMKQXHOSQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-10-6-11(2)12(3)19(8-10)9-16(20)14-5-4-13(17)7-15(14)18/h4-5,7,10-12H,6,8-9H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone?
1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone has a molecular weight of 314.26 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114594194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).