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

C17H16Cl4N2 — CID 3373425

IUPAC1-[bis(2,4-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(C(c2ccc(Cl)cc2Cl)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H16Cl4N2/c18-11-1-3-13(15(20)9-11)17(23-7-5-22-6-8-23)14-4-2-12(19)10-16(14)21/h1-4,9-10,17,22H,5-8H2
InChIKeyYJKUYCLTLQJYRZ-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.29
Rot. Bonds3

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

1-[bis(2,4-dichlorophenyl)methyl]piperazine (PubChem CID 3373425) has the molecular formula C17H16Cl4N2 and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-[bis(2,4-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[bis(2,4-dichlorophenyl)methyl]piperazine
PubChem CID3373425
Molecular FormulaC17H16Cl4N2
Molecular Weight390.14 g/mol
Exact Mass388.01
IUPAC Name1-[bis(2,4-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(C(c2ccc(Cl)cc2Cl)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H16Cl4N2/c18-11-1-3-13(15(20)9-11)17(23-7-5-22-6-8-23)14-4-2-12(19)10-16(14)21/h1-4,9-10,17,22H,5-8H2
InChIKeyYJKUYCLTLQJYRZ-UHFFFAOYSA-N
XLogP5.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[bis(2,4-dichlorophenyl)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-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 3541146
1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
CID 3272834
1-[(3-chlorophenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane
CID 3791498
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4594125
1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 4738646
1-[(2,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4584564
4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline
CID 4209519
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methyl]-1,4-diazepane
CID 3765362
1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3597593
1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3766292
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3567529
1-[(1R)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine
CID 171294486

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2,4-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-[bis(2,4-dichlorophenyl)methyl]piperazine (CID 3373425) is 1-[bis(2,4-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[bis(2,4-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[bis(2,4-dichlorophenyl)methyl]piperazine is Clc1ccc(C(c2ccc(Cl)cc2Cl)N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[bis(2,4-dichlorophenyl)methyl]piperazine?
The InChIKey is YJKUYCLTLQJYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl4N2/c18-11-1-3-13(15(20)9-11)17(23-7-5-22-6-8-23)14-4-2-12(19)10-16(14)21/h1-4,9-10,17,22H,5-8H2.
What are the key properties of 1-[bis(2,4-dichlorophenyl)methyl]piperazine?
1-[bis(2,4-dichlorophenyl)methyl]piperazine has a molecular weight of 390.14 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2,4-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 3373425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).