1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine

C18H20Cl2N2 — CID 4738696

IUPAC1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(C(c2cc(Cl)ccc2Cl)N2CCNCC2)cc1
InChIInChI=1S/C18H20Cl2N2/c1-13-2-4-14(5-3-13)18(22-10-8-21-9-11-22)16-12-15(19)6-7-17(16)20/h2-7,12,18,21H,8-11H2,1H3
InChIKeyIRCLJWCYSSBFKB-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.30
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine

1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine (PubChem CID 4738696) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine
PubChem CID4738696
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC Name1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(C(c2cc(Cl)ccc2Cl)N2CCNCC2)cc1
InChIInChI=1S/C18H20Cl2N2/c1-13-2-4-14(5-3-13)18(22-10-8-21-9-11-22)16-12-15(19)6-7-17(16)20/h2-7,12,18,21H,8-11H2,1H3
InChIKeyIRCLJWCYSSBFKB-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine
CID 4312226
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methyl]-1,4-diazepane
CID 3575085
1-[(R)-(2,5-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171288571
1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 5211838
1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
CID 3272834
1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine
CID 4738612
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4594125
1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine
CID 3719125
1-[(3,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]-1,4-diazepane
CID 3779720
1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine
CID 3748492
1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 3971092

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine (CID 4738696) is 1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine is Cc1ccc(C(c2cc(Cl)ccc2Cl)N2CCNCC2)cc1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine?
The InChIKey is IRCLJWCYSSBFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2/c1-13-2-4-14(5-3-13)18(22-10-8-21-9-11-22)16-12-15(19)6-7-17(16)20/h2-7,12,18,21H,8-11H2,1H3.
What are the key properties of 1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine?
1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine has a molecular weight of 335.28 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 4738696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).