1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C180H257BrCl2F8N36O8S — CID 159219688

About 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 159219688) has the molecular formula C180H257BrCl2F8N36O8S and a molecular weight of 3388.14 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

• Compound Name: 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
• PubChem CID: 159219688
• Molecular Formula: C180H257BrCl2F8N36O8S
• Molecular Weight: 3388.14 g/mol
• Exact Mass: 3383.90
• IUPAC Name: 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
• SMILES: C1=CN2CCCCCN2C1.CC(=O)c1ccc(N2CCNCC2)cc1.CC(F)(F)c1cccc(N2CCNCC2)c1.COc1cc(N2CCNCC2)ccc1Br.COc1ccc(N2CCNCC2)c(OC)c1.CS(=O)(=O)N1CCNCC1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)cc1C(F)(F)F.Cc1ccc(N2CCNCC2)cc1Cl.Cc1cccc(N2CCNCC2)c1Cl.FC(F)(F)c1ccc(N2CCNCC2)nc1.c1cc2c(cc1N1CCNCC1)OCC2.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1
• InChI: InChI=1S/C12H15F3N2.C12H16F2N2.C12H18N2O2.2C12H16N2O.2C12H18N2.C12H17NO.C11H15BrN2O.2C11H15ClN2.C11H16N2.C10H12F3N3.C9H12N2.C8H12N4.C8H14N2.C5H12N2O2S/c1-9-2-3-10(8-11(9)12(13,14)15)17-6-4-16-5-7-17;1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14;1-2-11(14-6-4-13-5-7-14)9-12-10(1)3-8-15-12;1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14;1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14;1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14;1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;1-9-2-3-10(8-11(9)12)14-6-4-13-5-7-14;1-9-3-2-4-10(11(9)12)14-7-5-13-6-8-14;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;1-2-7-11(6-1)9-4-3-5-10-8-9;1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-2-5-9-7-4-8-10(9)6-3-1;1-10(8,9)7-4-2-6-3-5-7/h2-3,8,16H,4-7H2,1H3;2-4,9,15H,5-8H2,1H3;3-4,9,13H,5-8H2,1-2H3;1-2,9,13H,3-8H2;2-5,13H,6-9H2,1H3;2*3-4,9,13H,5-8H2,1-2H3;1-3,6-7H,4-5,8-11H2;2-3,8,13H,4-7H2,1H3;2-3,8,13H,4-7H2,1H3;2-4,13H,5-8H2,1H3;2-5,12H,6-9H2,1H3;1-2,7,14H,3-6H2;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;4,7H,1-3,5-6,8H2;6H,2-5H2,1H3
• InChIKey: KRNIZUCTHQSSIB-UHFFFAOYSA-N
• XLogP: 24.20
• TPSA: 375.66 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 43
• Rotatable Bonds: 24
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3388.14
LogP ≤ 5	24.20
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

The IUPAC name of 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 159219688) is 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is C1=CN2CCCCCN2C1.CC(=O)c1ccc(N2CCNCC2)cc1.CC(F)(F)c1cccc(N2CCNCC2)c1.COc1cc(N2CCNCC2)ccc1Br.COc1ccc(N2CCNCC2)c(OC)c1.CS(=O)(=O)N1CCNCC1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)cc1C(F)(F)F.Cc1ccc(N2CCNCC2)cc1Cl.Cc1cccc(N2CCNCC2)c1Cl.FC(F)(F)c1ccc(N2CCNCC2)nc1.c1cc2c(cc1N1CCNCC1)OCC2.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1.

What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

The InChIKey is KRNIZUCTHQSSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.C12H16F2N2.C12H18N2O2.2C12H16N2O.2C12H18N2.C12H17NO.C11H15BrN2O.2C11H15ClN2.C11H16N2.C10H12F3N3.C9H12N2.C8H12N4.C8H14N2.C5H12N2O2S/c1-9-2-3-10(8-11(9)12(13,14)15)17-6-4-16-5-7-17;1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14;1-2-11(14-6-4-13-5-7-14)9-12-10(1)3-8-15-12;1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14;1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14;1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14;1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;1-9-2-3-10(8-11(9)12)14-6-4-13-5-7-14;1-9-3-2-4-10(11(9)12)14-7-5-13-6-8-14;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;1-2-7-11(6-1)9-4-3-5-10-8-9;1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-2-5-9-7-4-8-10(9)6-3-1;1-10(8,9)7-4-2-6-3-5-7/h2-3,8,16H,4-7H2,1H3;2-4,9,15H,5-8H2,1H3;3-4,9,13H,5-8H2,1-2H3;1-2,9,13H,3-8H2;2-5,13H,6-9H2,1H3;2*3-4,9,13H,5-8H2,1-2H3;1-3,6-7H,4-5,8-11H2;2-3,8,13H,4-7H2,1H3;2-3,8,13H,4-7H2,1H3;2-4,13H,5-8H2,1H3;2-5,12H,6-9H2,1H3;1-2,7,14H,3-6H2;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;4,7H,1-3,5-6,8H2;6H,2-5H2,1H3.

What are the key properties of 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 3388.14 g/mol, XLogP of 24.20, 24 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(3-chloro-4-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 159219688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).