(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

C20H24N2O2 — CID 120734041

IUPAC(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(C)ccc1C
InChIInChI=1S/C20H24N2O2/c1-14-8-9-15(2)17(12-14)20(23)22-11-10-21-13-18(22)16-6-4-5-7-19(16)24-3/h4-9,12,18,21H,10-11,13H2,1-3H3
InChIKeyTZMWJWVLOAVSMJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.10
Rot. Bonds3

About (2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 120734041) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID120734041
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(C)ccc1C
InChIInChI=1S/C20H24N2O2/c1-14-8-9-15(2)17(12-14)20(23)22-11-10-21-13-18(22)16-6-4-5-7-19(16)24-3/h4-9,12,18,21H,10-11,13H2,1-3H3
InChIKeyTZMWJWVLOAVSMJ-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
2-(2-methoxy-5-methylphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734683
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120735094
(4-bromo-2-fluorophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735063
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735093
(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 95001107
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120733114
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843
[5-[(4-butylphenyl)sulfamoylamino]-2-methylphenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 67240025
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120732866

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 120734041) is (2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1C1CNCCN1C(=O)c1cc(C)ccc1C.
What is the InChIKey of (2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is TZMWJWVLOAVSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-8-9-15(2)17(12-14)20(23)22-11-10-21-13-18(22)16-6-4-5-7-19(16)24-3/h4-9,12,18,21H,10-11,13H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120734041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).