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

C15H20ClNO2 — CID 112978910

IUPAC2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCCC(C)C2)ccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-11-4-3-7-17(9-11)15(18)10-19-13-5-6-14(16)12(2)8-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3
InChIKeyDEOUXPPISVFUQP-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.29
Rot. Bonds3

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

2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 112978910) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID112978910
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCCC(C)C2)ccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-11-4-3-7-17(9-11)15(18)10-19-13-5-6-14(16)12(2)8-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3
InChIKeyDEOUXPPISVFUQP-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-methylpiperidin-1-yl)ethanone
CID 883850
2-(4-chloro-3-methylphenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356775
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-chloro-3-methylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958047
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
2-(4-chloro-3-methylphenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 55715629
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-[(3S)-3-aminopiperidin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 124628173
2-[1-[2-(4-chloro-3-methylphenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64603730
2-(4-chloro-3-methylphenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706987

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone (CID 112978910) is 2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone is Cc1cc(OCC(=O)N2CCCC(C)C2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is DEOUXPPISVFUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-4-3-7-17(9-11)15(18)10-19-13-5-6-14(16)12(2)8-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone?
2-(4-chloro-3-methylphenoxy)-1-(3-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-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 112978910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).