2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone

C15H20ClNO2 — CID 883850

IUPAC2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-11-5-7-17(8-6-11)15(18)10-19-13-3-4-14(16)12(2)9-13/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyARXVUFHKNFAWIB-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.29
Rot. Bonds3

About 2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone

2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 883850) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID883850
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-11-5-7-17(8-6-11)15(18)10-19-13-3-4-14(16)12(2)9-13/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyARXVUFHKNFAWIB-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958047
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 112978910
2-(4-chloro-3-methylphenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103900231
2-(4-chloro-3-methylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66262530
2-(4-bromo-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 730217
2-(4-chloro-3-methylphenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706987
2-(4-chloro-3-methylphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 17249879
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-3-methylphenoxy)ethanone
CID 17174686
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
2-(4-chloro-3-methylphenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356775
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939291

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone (CID 883850) is 2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone is Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is ARXVUFHKNFAWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-5-7-17(8-6-11)15(18)10-19-13-3-4-14(16)12(2)9-13/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 281.78 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 883850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).