4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine

C19H22Cl2N2 — CID 22199604

IUPAC4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2C)cc1
InChIInChI=1S/C19H22Cl2N2/c1-14-3-6-17(7-4-14)23-10-9-22(12-15(23)2)13-16-5-8-18(20)19(21)11-16/h3-8,11,15H,9-10,12-13H2,1-2H3
InChIKeyRPSUVFVEXKLPDI-UHFFFAOYSA-N
MW349.31 g/mol
LogP5.01
Rot. Bonds3

About 4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine

4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine (PubChem CID 22199604) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
PubChem CID22199604
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2C)cc1
InChIInChI=1S/C19H22Cl2N2/c1-14-3-6-17(7-4-14)23-10-9-22(12-15(23)2)13-16-5-8-18(20)19(21)11-16/h3-8,11,15H,9-10,12-13H2,1-2H3
InChIKeyRPSUVFVEXKLPDI-UHFFFAOYSA-N
XLogP5.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.31
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine (CID 22199604) is 4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2C)cc1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine?
The InChIKey is RPSUVFVEXKLPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2/c1-14-3-6-17(7-4-14)23-10-9-22(12-15(23)2)13-16-5-8-18(20)19(21)11-16/h3-8,11,15H,9-10,12-13H2,1-2H3.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine?
4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine has a molecular weight of 349.31 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine is sourced from PubChem (CID 22199604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).