1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine

C17H16Cl4N2 — CID 22198709

IUPAC1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1Cl
InChIInChI=1S/C17H16Cl4N2/c18-14-2-1-3-15(19)13(14)11-22-6-8-23(9-7-22)12-4-5-16(20)17(21)10-12/h1-5,10H,6-9,11H2
InChIKeyAXLYRHIQTSYVBS-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.62
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine

1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine (PubChem CID 22198709) has the molecular formula C17H16Cl4N2 and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
PubChem CID22198709
Molecular FormulaC17H16Cl4N2
Molecular Weight390.14 g/mol
Exact Mass388.01
IUPAC Name1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1Cl
InChIInChI=1S/C17H16Cl4N2/c18-14-2-1-3-15(19)13(14)11-22-6-8-23(9-7-22)12-4-5-16(20)17(21)10-12/h1-5,10H,6-9,11H2
InChIKeyAXLYRHIQTSYVBS-UHFFFAOYSA-N
XLogP5.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 782911
1-[4-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 1376472
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
4-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole;hydrochloride
CID 146405230
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11516033
3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propanoic acid
CID 22337271
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane
CID 56886461
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 171702256
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
6-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 174498431

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine (CID 22198709) is 1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine is Clc1ccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The InChIKey is AXLYRHIQTSYVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl4N2/c18-14-2-1-3-15(19)13(14)11-22-6-8-23(9-7-22)12-4-5-16(20)17(21)10-12/h1-5,10H,6-9,11H2.
What are the key properties of 1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine has a molecular weight of 390.14 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 22198709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).