1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine

C17H18Cl2N2O — CID 110452715

IUPAC1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
SMILESCOc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-22-17-6-5-15(12-16(17)19)21-9-7-20(8-10-21)14-4-2-3-13(18)11-14/h2-6,11-12H,7-10H2,1H3
InChIKeyQNCYAWXIFDJCEY-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.33
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine

1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine (PubChem CID 110452715) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
PubChem CID110452715
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
SMILESCOc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-22-17-6-5-15(12-16(17)19)21-9-7-20(8-10-21)14-4-2-3-13(18)11-14/h2-6,11-12H,7-10H2,1H3
InChIKeyQNCYAWXIFDJCEY-UHFFFAOYSA-N
XLogP4.33
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
CID 1210841
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108
1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
CID 34117775
2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole
CID 894282
1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077100
1-(3-chloro-4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113077138
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153018
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
1-butylsulfonyl-4-(3-chloro-4-methoxyphenyl)piperazine
CID 113077135

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine (CID 110452715) is 1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine is COc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine?
The InChIKey is QNCYAWXIFDJCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-22-17-6-5-15(12-16(17)19)21-9-7-20(8-10-21)14-4-2-3-13(18)11-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine?
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine has a molecular weight of 337.25 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 110452715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).