1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine

C156H247BrClF3N31O9S+ — CID 158543056

About 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine

1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine (PubChem CID 158543056) has the molecular formula C156H247BrClF3N31O9S+ and a molecular weight of 2905.32 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine.

Molecular Properties

• Compound Name: 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine
• PubChem CID: 158543056
• Molecular Formula: C156H247BrClF3N31O9S+
• Molecular Weight: 2905.32 g/mol
• Exact Mass: 2901.84
• IUPAC Name: 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine
• SMILES: C.C.C.C.C.C.C.C.C.CC(=O)c1ccc(N2CCNCC2)cc1.CC(F)(F)c1ccc(N2CCNCC2)nc1.COc1cc(N2CCNCC2)ccc1Br.COc1ccc(N2CCNCC2)c(OC)c1.CS(=O)(=O)N1CCNCC1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)c(F)c1.Cc1ccc(N2CCNCC2)cc1.Cc1cccc(N2CCNCC2)c1Cl.O=[NH+]c1ccc(N2CCNCC2)cc1.c1cc2c(cc1N1CCNCC1)OCC2.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1
• InChI: InChI=1S/C12H18N2O2.2C12H16N2O.C12H18N2.C12H17NO.C11H15BrN2O.C11H15ClN2.C11H15F2N3.C11H15FN2.C11H16N2.C10H13N3O.C9H12N2.C8H12N4.C5H12N2O2S.9CH4/c1-15-10-3-4-11(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(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;1-9-3-2-4-10(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;1-9-2-3-11(10(12)8-9)14-6-4-13-5-7-14;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;14-12-9-1-3-10(4-2-9)13-7-5-11-6-8-13;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;1-10(8,9)7-4-2-6-3-5-7;;;;;;;;;/h3-4,9,13H,5-8H2,1-2H3;1-2,9,13H,3-8H2;2-5,13H,6-9H2,1H3;3-4,9,13H,5-8H2,1-2H3;1-3,6-7H,4-5,8-11H2;2-3,8,13H,4-7H2,1H3;2-4,13H,5-8H2,1H3;2-3,8,14H,4-7H2,1H3;2-3,8,13H,4-7H2,1H3;2-5,12H,6-9H2,1H3;1-4,11H,5-8H2;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;6H,2-5H2,1H3;9*1H4/p+1
• InChIKey: HOTMTRJKCWJJDD-UHFFFAOYSA-O
• XLogP: 21.51
• TPSA: 369.68 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2905.32
LogP ≤ 5	21.51
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-[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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine?

The IUPAC name of 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine (CID 158543056) is 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine.

What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine?

The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine is C.C.C.C.C.C.C.C.C.CC(=O)c1ccc(N2CCNCC2)cc1.CC(F)(F)c1ccc(N2CCNCC2)nc1.COc1cc(N2CCNCC2)ccc1Br.COc1ccc(N2CCNCC2)c(OC)c1.CS(=O)(=O)N1CCNCC1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)c(F)c1.Cc1ccc(N2CCNCC2)cc1.Cc1cccc(N2CCNCC2)c1Cl.O=[NH+]c1ccc(N2CCNCC2)cc1.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-[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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine?

The InChIKey is HOTMTRJKCWJJDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N2O2.2C12H16N2O.C12H18N2.C12H17NO.C11H15BrN2O.C11H15ClN2.C11H15F2N3.C11H15FN2.C11H16N2.C10H13N3O.C9H12N2.C8H12N4.C5H12N2O2S.9CH4/c1-15-10-3-4-11(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(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;1-9-3-2-4-10(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;1-9-2-3-11(10(12)8-9)14-6-4-13-5-7-14;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;14-12-9-1-3-10(4-2-9)13-7-5-11-6-8-13;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;1-10(8,9)7-4-2-6-3-5-7;;;;;;;;;/h3-4,9,13H,5-8H2,1-2H3;1-2,9,13H,3-8H2;2-5,13H,6-9H2,1H3;3-4,9,13H,5-8H2,1-2H3;1-3,6-7H,4-5,8-11H2;2-3,8,13H,4-7H2,1H3;2-4,13H,5-8H2,1H3;2-3,8,14H,4-7H2,1H3;2-3,8,13H,4-7H2,1H3;2-5,12H,6-9H2,1H3;1-4,11H,5-8H2;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;6H,2-5H2,1H3;9*1H4/p+1.

What are the key properties of 1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine?

1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine has a molecular weight of 2905.32 g/mol, XLogP of 21.51, 23 rotatable bonds, 13 hydrogen bond donors, and 38 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-[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-(2-fluoro-4-methylphenyl)piperazine;methane;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 158543056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).