2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone

C16H22ClNO3 — CID 60741845

IUPAC2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCc1cc(OCC(=O)N2CCCCC2CCO)ccc1Cl
InChIInChI=1S/C16H22ClNO3/c1-12-10-14(5-6-15(12)17)21-11-16(20)18-8-3-2-4-13(18)7-9-19/h5-6,10,13,19H,2-4,7-9,11H2,1H3
InChIKeyBEYKZNPUYSSRFL-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone

2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 60741845) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID60741845
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCc1cc(OCC(=O)N2CCCCC2CCO)ccc1Cl
InChIInChI=1S/C16H22ClNO3/c1-12-10-14(5-6-15(12)17)21-11-16(20)18-8-3-2-4-13(18)7-9-19/h5-6,10,13,19H,2-4,7-9,11H2,1H3
InChIKeyBEYKZNPUYSSRFL-UHFFFAOYSA-N
XLogP2.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone 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-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 26819196
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-chloro-3-methylphenoxy)ethanone
CID 119436188
2-(3,4-dimethylphenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636323
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-chloro-3-methylphenoxy)ethanone;hydrochloride
CID 119436187
2-(4-chloro-3-methylphenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356775
1-[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(4-chloro-3,5-dimethylphenoxy)ethanone
CID 17013771
2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 129398154
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 883850
2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 112978910
2-(4-chloro-3-methylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958047
N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108879278
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(4-chloro-3-methylphenoxy)butan-1-one
CID 119631922

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 60741845) is 2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone is Cc1cc(OCC(=O)N2CCCCC2CCO)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is BEYKZNPUYSSRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-12-10-14(5-6-15(12)17)21-11-16(20)18-8-3-2-4-13(18)7-9-19/h5-6,10,13,19H,2-4,7-9,11H2,1H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 311.81 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 60741845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).