(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C20H24N2O — CID 18120424

IUPAC(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(C)cc3C)CC2)c1
InChIInChI=1S/C20H24N2O/c1-15-5-4-6-18(14-15)21-9-11-22(12-10-21)20(23)19-8-7-16(2)13-17(19)3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGLLXQGJFAJNRSD-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.57
Rot. Bonds2

About (2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 18120424) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID18120424
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(C)cc3C)CC2)c1
InChIInChI=1S/C20H24N2O/c1-15-5-4-6-18(14-15)21-9-11-22(12-10-21)20(23)19-8-7-16(2)13-17(19)3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGLLXQGJFAJNRSD-UHFFFAOYSA-N
XLogP3.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110766171
(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28723176
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27040790
(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27041838
(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25398097
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
(5-bromo-2-hydroxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27164936
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 18120424) is (2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(C)cc3C)CC2)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is GLLXQGJFAJNRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-5-4-6-18(14-15)21-9-11-22(12-10-21)20(23)19-8-7-16(2)13-17(19)3/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 308.43 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18120424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).