1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone

C20H22Cl2N2O2 — CID 19296977

IUPAC1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H22Cl2N2O2/c1-15-4-2-3-5-19(15)26-14-20(25)24-10-8-23(9-11-24)13-16-6-7-17(21)12-18(16)22/h2-7,12H,8-11,13-14H2,1H3
InChIKeyIQWDOEXURVKOGK-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.03
Rot. Bonds5

About 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone

1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone (PubChem CID 19296977) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
PubChem CID19296977
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H22Cl2N2O2/c1-15-4-2-3-5-19(15)26-14-20(25)24-10-8-23(9-11-24)13-16-6-7-17(21)12-18(16)22/h2-7,12H,8-11,13-14H2,1H3
InChIKeyIQWDOEXURVKOGK-UHFFFAOYSA-N
XLogP4.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone with MolForge

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Related Compounds

2-(2-methylphenoxy)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297256
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 55552002
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39712313
2-(2,4-dichlorophenoxy)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 108536091
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 2050633
2-(2-amino-3-methylphenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22264286
2-(4-chlorophenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone;oxalic acid
CID 17366265
2-(4-chlorophenoxy)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19293287
4-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 2050274
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 9240158

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone (CID 19296977) is 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone is Cc1ccccc1OCC(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
The InChIKey is IQWDOEXURVKOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-15-4-2-3-5-19(15)26-14-20(25)24-10-8-23(9-11-24)13-16-6-7-17(21)12-18(16)22/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone has a molecular weight of 393.31 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 19296977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).