1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide

C162H240BrCl2F4N31O9S — CID 158904421

About 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide

1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide (PubChem CID 158904421) has the molecular formula C162H240BrCl2F4N31O9S and a molecular weight of 3024.78 g/mol. Its IUPAC name is 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide
• PubChem CID: 158904421
• Molecular Formula: C162H240BrCl2F4N31O9S
• Molecular Weight: 3024.78 g/mol
• Exact Mass: 3020.75
• IUPAC Name: 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide
• SMILES: Brc1ccc(N2CCNCC2)cc1.C1CCC(N2CCNCC2)CC1.CC(=O)c1ccc(N2CCNCC2)cc1.CC(C)CN1CCNCC1.CN(C)C(=O)C1CCCN1.CNC(=O)CN1CCNCC1.CS(=O)(=O)N1CCNCC1.Clc1cccc(N2CCNCC2)c1Cl.FC1=C2CCNC2C=CC1.Fc1ccc(N2CCNCC2)c(F)c1.Fc1ccc2c(c1)CCCC2.NC(=O)C1CCCN1.O=[NH+]c1ccc(N2CCNCC2)cc1.[OH-].c1ccc(OCCN2CCCC2)cc1.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCN2.c1ccc2c3c([nH]c2c1)CNCC3.c1cncc(N2CCCC2)c1
• InChI: InChI=1S/C12H16N2O.C12H17NO.C11H12N2.C10H13BrN2.C10H12Cl2N2.C10H12F2N2.C10H11F.C10H13N3O.C10H20N2.C10H12.C9H12N2.C8H10FN.C8H18N2.C8H9N.C7H15N3O.C7H14N2O.C5H12N2O2S.C5H10N2O.H2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14;1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14;11-10-6-5-8-3-1-2-4-9(8)7-10;14-12-9-1-3-10(4-2-9)13-7-5-11-6-8-13;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-7-11(6-1)9-4-3-5-10-8-9;9-7-2-1-3-8-6(7)4-5-10-8;1-8(2)7-10-5-3-9-4-6-10;1-2-4-8-7(3-1)5-6-9-8;1-8-7(11)6-10-4-2-9-3-5-10;1-9(2)7(10)6-4-3-5-8-6;1-10(8,9)7-4-2-6-3-5-7;6-5(8)4-2-1-3-7-4;/h2-5,13H,6-9H2,1H3;1-3,6-7H,4-5,8-11H2;1-4,12-13H,5-7H2;1-4,12H,5-8H2;1-3,13H,4-7H2;1-2,7,13H,3-6H2;5-7H,1-4H2;1-4,11H,5-8H2;10-11H,1-9H2;1-2,5-6H,3-4,7-8H2;3-5,8H,1-2,6-7H2;1,3,8,10H,2,4-5H2;8-9H,3-7H2,1-2H3;1-4,9H,5-6H2;9H,2-6H2,1H3,(H,8,11);6,8H,3-5H2,1-2H3;6H,2-5H2,1H3;4,7H,1-3H2,(H2,6,8);1H2
• InChIKey: PQJMRQUPUWJGNF-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 446.72 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3024.78
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide?

The IUPAC name of 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide (CID 158904421) is 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide.

What is the SMILES notation for 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide?

The canonical SMILES for 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide is Brc1ccc(N2CCNCC2)cc1.C1CCC(N2CCNCC2)CC1.CC(=O)c1ccc(N2CCNCC2)cc1.CC(C)CN1CCNCC1.CN(C)C(=O)C1CCCN1.CNC(=O)CN1CCNCC1.CS(=O)(=O)N1CCNCC1.Clc1cccc(N2CCNCC2)c1Cl.FC1=C2CCNC2C=CC1.Fc1ccc(N2CCNCC2)c(F)c1.Fc1ccc2c(c1)CCCC2.NC(=O)C1CCCN1.O=[NH+]c1ccc(N2CCNCC2)cc1.[OH-].c1ccc(OCCN2CCCC2)cc1.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCN2.c1ccc2c3c([nH]c2c1)CNCC3.c1cncc(N2CCCC2)c1.

What is the InChIKey of 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide?

The InChIKey is PQJMRQUPUWJGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C12H17NO.C11H12N2.C10H13BrN2.C10H12Cl2N2.C10H12F2N2.C10H11F.C10H13N3O.C10H20N2.C10H12.C9H12N2.C8H10FN.C8H18N2.C8H9N.C7H15N3O.C7H14N2O.C5H12N2O2S.C5H10N2O.H2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14;1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14;11-10-6-5-8-3-1-2-4-9(8)7-10;14-12-9-1-3-10(4-2-9)13-7-5-11-6-8-13;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-7-11(6-1)9-4-3-5-10-8-9;9-7-2-1-3-8-6(7)4-5-10-8;1-8(2)7-10-5-3-9-4-6-10;1-2-4-8-7(3-1)5-6-9-8;1-8-7(11)6-10-4-2-9-3-5-10;1-9(2)7(10)6-4-3-5-8-6;1-10(8,9)7-4-2-6-3-5-7;6-5(8)4-2-1-3-7-4;/h2-5,13H,6-9H2,1H3;1-3,6-7H,4-5,8-11H2;1-4,12-13H,5-7H2;1-4,12H,5-8H2;1-3,13H,4-7H2;1-2,7,13H,3-6H2;5-7H,1-4H2;1-4,11H,5-8H2;10-11H,1-9H2;1-2,5-6H,3-4,7-8H2;3-5,8H,1-2,6-7H2;1,3,8,10H,2,4-5H2;8-9H,3-7H2,1-2H3;1-4,9H,5-6H2;9H,2-6H2,1H3,(H,8,11);6,8H,3-5H2,1-2H3;6H,2-5H2,1H3;4,7H,1-3H2,(H2,6,8);1H2.

What are the key properties of 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide?

1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide has a molecular weight of 3024.78 g/mol, XLogP of 18.76, 20 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)piperazine;1-cyclohexylpiperazine;1-(2,3-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;6-fluoro-1,2,3,4-tetrahydronaphthalene;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1,2,3,4-tetrahydronaphthalene;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydroxide is sourced from PubChem (CID 158904421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).