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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Related Compounds

2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 22199601
4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
CID 22199602
1-[4-chloro-3-(trifluoromethoxy)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]-2-methylpiperazine
CID 10160745
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17279131
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 98340125
2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 130766041
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 143237586
1-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490139
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716

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).