1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one

C15H19Cl2NO2 — CID 114679261

IUPAC1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CN(C(C)C(=O)c2ccc(Cl)cc2Cl)CCC1O
InChIInChI=1S/C15H19Cl2NO2/c1-9-8-18(6-5-14(9)19)10(2)15(20)12-4-3-11(16)7-13(12)17/h3-4,7,9-10,14,19H,5-6,8H2,1-2H3
InChIKeyPZFPLRFRJWSANW-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.27
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one

1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one (PubChem CID 114679261) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
PubChem CID114679261
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CN(C(C)C(=O)c2ccc(Cl)cc2Cl)CCC1O
InChIInChI=1S/C15H19Cl2NO2/c1-9-8-18(6-5-14(9)19)10(2)15(20)12-4-3-11(16)7-13(12)17/h3-4,7,9-10,14,19H,5-6,8H2,1-2H3
InChIKeyPZFPLRFRJWSANW-UHFFFAOYSA-N
XLogP3.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one
CID 62037868
1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204933
1-(2,4-dichlorophenyl)-2-(2-ethylazepan-1-yl)propan-1-one
CID 104690675
1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62467958
1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102884663
2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one
CID 82100516
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,4-dichlorobenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775267
1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 60871958
1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one
CID 63565936
(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679899
1-(2,4-dichlorophenyl)-2-(oxan-4-ylsulfinyl)propan-1-one
CID 64641187

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one (CID 114679261) is 1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one is CC1CN(C(C)C(=O)c2ccc(Cl)cc2Cl)CCC1O.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is PZFPLRFRJWSANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-9-8-18(6-5-14(9)19)10(2)15(20)12-4-3-11(16)7-13(12)17/h3-4,7,9-10,14,19H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 316.23 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 114679261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).