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

C15H19Cl2NO2 — CID 3717576

IUPAC2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCCCC1C
InChIInChI=1S/C15H19Cl2NO2/c1-10-5-3-4-8-18(10)15(19)11(2)20-14-7-6-12(16)9-13(14)17/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyYPLJIJRQNDNTDH-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.16
Rot. Bonds3

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

2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 3717576) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID3717576
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCCCC1C
InChIInChI=1S/C15H19Cl2NO2/c1-10-5-3-4-8-18(10)15(19)11(2)20-14-7-6-12(16)9-13(14)17/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyYPLJIJRQNDNTDH-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119466707
2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4252748
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
(2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 124835798
2-(2,4-dichlorophenoxy)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 60559245
2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66262423
methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
CID 108731321
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119517369
(2S)-2-(2,4-dichlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25405954
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370957
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one (CID 3717576) is 2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one is CC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCCCC1C.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is YPLJIJRQNDNTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-10-5-3-4-8-18(10)15(19)11(2)20-14-7-6-12(16)9-13(14)17/h6-7,9-11H,3-5,8H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one?
2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 316.23 g/mol, XLogP of 4.16, 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-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 3717576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).