1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine

C181H258BrCl3F7N35O8S — CID 160695704

About 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine

1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine (PubChem CID 160695704) has the molecular formula C181H258BrCl3F7N35O8S and a molecular weight of 3403.61 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine.

Molecular Properties

• Compound Name: 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine
• PubChem CID: 160695704
• Molecular Formula: C181H258BrCl3F7N35O8S
• Molecular Weight: 3403.61 g/mol
• Exact Mass: 3398.87
• IUPAC Name: 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine
• SMILES: C1=CN2CCCCCN2C1.CC(=O)c1ccc(N2CCNCC2)cc1.CC(F)(F)c1ccc(N2CCNCC2)nc1.CC(F)(F)c1cccc(N2CCNCC2)c1.COc1cc(N2CCNCC2)ccc1Br.COc1ccc(N2CCNCC2)c(OC)c1.CS(=O)(=O)N1CCNCC1.Cc1cc(N2CCNCC2)ccc1Cl.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Cc1cccc(N2CCNCC2)c1Cl.FC(F)(F)c1cc(N2CCNCC2)ccc1Cl.c1cc2c(cc1N1CCNCC1)OCC2.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(C2CCCC2)c1
• InChI: InChI=1S/C12H16F2N2.C12H18N2O2.2C12H16N2O.2C12H18N2.C12H17NO.C11H15BrN2O.C11H12ClF3N2.2C11H15ClN2.C11H15F2N3.C11H16N2.C10H13N.C8H12N4.C8H14N2.C5H12N2O2S/c1-12(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;12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17;1-9-8-10(2-3-11(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;1-11(12,13)9-2-3-10(15-8-9)16-6-4-14-5-7-16;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-2-5-9(4-1)10-6-3-7-11-8-10;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/h2-4,9,15H,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;1-2,7,16H,3-6H2;2-3,8,13H,4-7H2,1H3;2-4,13H,5-8H2,1H3;2-3,8,14H,4-7H2,1H3;2-5,12H,6-9H2,1H3;3,6-9H,1-2,4-5H2;1-3,9H,4-7H2;4,7H,1-3,5-6,8H2;6H,2-5H2,1H3
• InChIKey: RPYVUJISVDBNRB-UHFFFAOYSA-N
• XLogP: 25.69
• TPSA: 372.42 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 25
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3403.61
LogP ≤ 5	25.69
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	42

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-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine?

The IUPAC name of 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine (CID 160695704) is 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine.

What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine?

The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine is C1=CN2CCCCCN2C1.CC(=O)c1ccc(N2CCNCC2)cc1.CC(F)(F)c1ccc(N2CCNCC2)nc1.CC(F)(F)c1cccc(N2CCNCC2)c1.COc1cc(N2CCNCC2)ccc1Br.COc1ccc(N2CCNCC2)c(OC)c1.CS(=O)(=O)N1CCNCC1.Cc1cc(N2CCNCC2)ccc1Cl.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Cc1cccc(N2CCNCC2)c1Cl.FC(F)(F)c1cc(N2CCNCC2)ccc1Cl.c1cc2c(cc1N1CCNCC1)OCC2.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(C2CCCC2)c1.

What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine?

The InChIKey is RPYVUJISVDBNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2.C12H18N2O2.2C12H16N2O.2C12H18N2.C12H17NO.C11H15BrN2O.C11H12ClF3N2.2C11H15ClN2.C11H15F2N3.C11H16N2.C10H13N.C8H12N4.C8H14N2.C5H12N2O2S/c1-12(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;12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17;1-9-8-10(2-3-11(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;1-11(12,13)9-2-3-10(15-8-9)16-6-4-14-5-7-16;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-2-5-9(4-1)10-6-3-7-11-8-10;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/h2-4,9,15H,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;1-2,7,16H,3-6H2;2-3,8,13H,4-7H2,1H3;2-4,13H,5-8H2,1H3;2-3,8,14H,4-7H2,1H3;2-5,12H,6-9H2,1H3;3,6-9H,1-2,4-5H2;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-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine?

1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine has a molecular weight of 3403.61 g/mol, XLogP of 25.69, 25 rotatable bonds, 14 hydrogen bond donors, and 42 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-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;3-cyclopentylpyridine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 160695704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).