1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

C21H25ClN2O2 — CID 113080639

IUPAC1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCOc1cc(Cl)c(C)cc1N1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C21H25ClN2O2/c1-15-4-6-17(7-5-15)13-21(25)24-10-8-23(9-11-24)19-12-16(2)18(22)14-20(19)26-3/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyFWKHPLPHRHRKLM-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.86
Rot. Bonds4

About 1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 113080639) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID113080639
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCOc1cc(Cl)c(C)cc1N1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C21H25ClN2O2/c1-15-4-6-17(7-5-15)13-21(25)24-10-8-23(9-11-24)19-12-16(2)18(22)14-20(19)26-3/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyFWKHPLPHRHRKLM-UHFFFAOYSA-N
XLogP3.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
2-(4-chlorophenyl)-1-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 113077817
1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 113080603
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92672754
1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 113076732
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113080214
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906
4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111710
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 8839838
4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111403
4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110926
N-(3-chloro-4-methylphenyl)-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 55768358

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (CID 113080639) is 1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is COc1cc(Cl)c(C)cc1N1CCN(C(=O)Cc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is FWKHPLPHRHRKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15-4-6-17(7-5-15)13-21(25)24-10-8-23(9-11-24)19-12-16(2)18(22)14-20(19)26-3/h4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 372.90 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 113080639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).