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

C17H16Cl4N2 — CID 3541146

IUPAC1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(C(c2cccc(Cl)c2Cl)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H16Cl4N2/c18-11-4-5-12(15(20)10-11)17(23-8-6-22-7-9-23)13-2-1-3-14(19)16(13)21/h1-5,10,17,22H,6-9H2
InChIKeyHWBNUJKKQMLNOT-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.29
Rot. Bonds3

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

1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine (PubChem CID 3541146) has the molecular formula C17H16Cl4N2 and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
PubChem CID3541146
Molecular FormulaC17H16Cl4N2
Molecular Weight390.14 g/mol
Exact Mass388.01
IUPAC Name1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(C(c2cccc(Cl)c2Cl)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H16Cl4N2/c18-11-4-5-12(15(20)10-11)17(23-8-6-22-7-9-23)13-2-1-3-14(19)16(13)21/h1-5,10,17,22H,6-9H2
InChIKeyHWBNUJKKQMLNOT-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

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Related Compounds

1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4305876
1-[(3-chlorophenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane
CID 3791498
1-[(2,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4584564
1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3600926
1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3766292
1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
CID 3272834
1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine
CID 4267301
1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3597593
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-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine
CID 3742114

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine (CID 3541146) is 1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine is Clc1ccc(C(c2cccc(Cl)c2Cl)N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine?
The InChIKey is HWBNUJKKQMLNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl4N2/c18-11-4-5-12(15(20)10-11)17(23-8-6-22-7-9-23)13-2-1-3-14(19)16(13)21/h1-5,10,17,22H,6-9H2.
What are the key properties of 1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine?
1-[(2,3-dichlorophenyl)-(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-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 3541146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).