1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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

C183H265Cl2F7N36O7S — CID 159201692

About 1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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 (PubChem CID 159201692) has the molecular formula C183H265Cl2F7N36O7S and a molecular weight of 3317.34 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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.

Molecular Properties

• Compound Name: 1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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
• PubChem CID: 159201692
• Molecular Formula: C183H265Cl2F7N36O7S
• Molecular Weight: 3317.34 g/mol
• Exact Mass: 3314.05
• IUPAC Name: 1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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
• SMILES: C1=CN2CCCCCN2C1.CC(=O)c1ccc(N2CCNCC2)cc1.CC(F)(F)c1ccc(N2CCNCC2)nc1.CC(F)(F)c1cccc(N2CCNCC2)c1.CCc1cc(OC)ccc1N1CCNCC1.COc1cc(N2CCNCC2)ccc1C.CS(=O)(=O)N1CCNCC1.Cc1cc(N2CCNCC2)ccc1Cl.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)cc1C(F)(F)F.Cc1cccc(N2CCNCC2)c1Cl.c1cc2c(cc1N1CCNCC1)OCC2.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1
• InChI: InChI=1S/C13H20N2O.C12H15F3N2.C12H16F2N2.C12H16N2O.C12H18N2O.C12H16N2O.2C12H18N2.C12H17NO.2C11H15ClN2.C11H15F2N3.C11H16N2.C9H12N2.C8H12N4.C8H14N2.C5H12N2O2S/c1-3-11-10-12(16-2)4-5-13(11)15-8-6-14-7-9-15;1-9-2-3-10(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;1-2-11(14-6-4-13-5-7-14)9-12-10(1)3-8-15-12;1-10-3-4-11(9-12(10)15-2)14-7-5-13-6-8-14;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;1-9-8-10(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;1-2-7-11(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/h4-5,10,14H,3,6-9H2,1-2H3;2-3,8,16H,4-7H2,1H3;2-4,9,15H,5-8H2,1H3;1-2,9,13H,3-8H2;3-4,9,13H,5-8H2,1-2H3;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;2-4,13H,5-8H2,1H3;2-3,8,14H,4-7H2,1H3;2-5,12H,6-9H2,1H3;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;4,7H,1-3,5-6,8H2;6H,2-5H2,1H3
• InChIKey: KPJGRVKCCHEWAK-UHFFFAOYSA-N
• XLogP: 24.39
• TPSA: 366.43 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	3317.34
LogP ≤ 5	24.39
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-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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?

The IUPAC name of 1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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 (CID 159201692) is 1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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.

What is the SMILES notation for 1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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?

The canonical SMILES for 1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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 is C1=CN2CCCCCN2C1.CC(=O)c1ccc(N2CCNCC2)cc1.CC(F)(F)c1ccc(N2CCNCC2)nc1.CC(F)(F)c1cccc(N2CCNCC2)c1.CCc1cc(OC)ccc1N1CCNCC1.COc1cc(N2CCNCC2)ccc1C.CS(=O)(=O)N1CCNCC1.Cc1cc(N2CCNCC2)ccc1Cl.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)cc1C(F)(F)F.Cc1cccc(N2CCNCC2)c1Cl.c1cc2c(cc1N1CCNCC1)OCC2.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1.

What is the InChIKey of 1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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?

The InChIKey is KPJGRVKCCHEWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C12H15F3N2.C12H16F2N2.C12H16N2O.C12H18N2O.C12H16N2O.2C12H18N2.C12H17NO.2C11H15ClN2.C11H15F2N3.C11H16N2.C9H12N2.C8H12N4.C8H14N2.C5H12N2O2S/c1-3-11-10-12(16-2)4-5-13(11)15-8-6-14-7-9-15;1-9-2-3-10(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;1-2-11(14-6-4-13-5-7-14)9-12-10(1)3-8-15-12;1-10-3-4-11(9-12(10)15-2)14-7-5-13-6-8-14;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;1-9-8-10(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;1-2-7-11(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/h4-5,10,14H,3,6-9H2,1-2H3;2-3,8,16H,4-7H2,1H3;2-4,9,15H,5-8H2,1H3;1-2,9,13H,3-8H2;3-4,9,13H,5-8H2,1-2H3;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;2-4,13H,5-8H2,1H3;2-3,8,14H,4-7H2,1H3;2-5,12H,6-9H2,1H3;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-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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 has a molecular weight of 3317.34 g/mol, XLogP of 24.39, 25 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;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-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;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 is sourced from PubChem (CID 159201692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).