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

C21H26N2O — CID 113075364

IUPAC(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C21H26N2O/c1-15-5-8-20(18(4)13-15)22-9-11-23(12-10-22)21(24)19-7-6-16(2)17(3)14-19/h5-8,13-14H,9-12H2,1-4H3
InChIKeyFRAPFNSKXFNAAE-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.88
Rot. Bonds2

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

(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 113075364) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID113075364
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C21H26N2O/c1-15-5-8-20(18(4)13-15)22-9-11-23(12-10-22)21(24)19-7-6-16(2)17(3)14-19/h5-8,13-14H,9-12H2,1-4H3
InChIKeyFRAPFNSKXFNAAE-UHFFFAOYSA-N
XLogP3.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
(3-methyl-4-pyrrolidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 168513476
(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
CID 71252641
(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
CID 113075800
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822663
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365749
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71251911
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone
CID 175383145

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (CID 113075364) is (3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c(C)c1.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is FRAPFNSKXFNAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-5-8-20(18(4)13-15)22-9-11-23(12-10-22)21(24)19-7-6-16(2)17(3)14-19/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 322.45 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113075364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).