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

C15H19Cl2NO2 — CID 4252748

IUPAC2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H19Cl2NO2/c1-10-4-3-7-18(9-10)15(19)11(2)20-14-6-5-12(16)8-13(14)17/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyKAFQVXYMIIYWSK-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.02
Rot. Bonds3

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

2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 4252748) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID4252748
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H19Cl2NO2/c1-10-4-3-7-18(9-10)15(19)11(2)20-14-6-5-12(16)8-13(14)17/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyKAFQVXYMIIYWSK-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dichlorophenoxy)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 60559245
methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
CID 108731321
2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66262423
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370957
(2S)-2-(2,4-dichlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25405954
2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 3717576
2-(4-chloro-2-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43390775
1-(1,4-diazepan-1-yl)-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 119414831
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119517369
2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one
CID 47018486
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 120659100
1-[2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167761

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one (CID 4252748) is 2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is KAFQVXYMIIYWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-10-4-3-7-18(9-10)15(19)11(2)20-14-6-5-12(16)8-13(14)17/h5-6,8,10-11H,3-4,7,9H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 316.23 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 4252748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).