(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone

C19H20Cl2N2O — CID 71822663

IUPAC(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1
InChIInChI=1S/C19H20Cl2N2O/c1-13-3-6-18(14(2)11-13)22-7-9-23(10-8-22)19(24)16-12-15(20)4-5-17(16)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyZSEJJOQFRSPUNC-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.57
Rot. Bonds2

About (2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone

(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 71822663) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID71822663
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1
InChIInChI=1S/C19H20Cl2N2O/c1-13-3-6-18(14(2)11-13)22-7-9-23(10-8-22)19(24)16-12-15(20)4-5-17(16)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyZSEJJOQFRSPUNC-UHFFFAOYSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
(5-chloro-2-methoxyphenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 71822598
(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27514595
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080198
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 3589769
[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 110357981
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 143462130
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (CID 71822663) is (2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1.
What is the InChIKey of (2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is ZSEJJOQFRSPUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-13-3-6-18(14(2)11-13)22-7-9-23(10-8-22)19(24)16-12-15(20)4-5-17(16)21/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 363.29 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71822663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).