About 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 158645091) has the molecular formula C209H298ClF6N38O8S+
and a molecular weight of 3652.45 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
Frequently Asked Questions
What is the IUPAC name of 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 158645091) is 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is C.C1CCC(N2CCNCC2)CC1.CC(=O)c1ccc(N2CCNCC2)cc1.CC(C)CN1CCNCC1.CN(C)C(=O)C1CCCN1.CNC(=O)CN1CCNCC1.CS(=O)(=O)N1CCNCC1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CNCC2.Cc1cccc(N2CCNCC2)c1Cl.FC1=C2CCNC2C=CC1.Fc1ccc(N2CCNCC2)c(F)c1.Fc1ccc2c(c1)CNC2.Fc1cccc2c1CNC2.Fc1cccc2c1NCC2.NC(=O)C1CCCN1.O=[NH+]c1ccc(N2CCNCC2)cc1.c1ccc(OCCN2CCCC2)cc1.c1ccc2c(c1)CC1=C2CNCC1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c3c([nH]c2c1)CNCC3.c1cncc(N2CCCC2)c1.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is IAWBIHDHQGDIGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H16N2O.C12H17NO.C12H13N.C11H15ClN2.C11H12N2.C11H16N2.C10H12F2N2.C10H13N3O.C10H20N2.C10H13N.C9H12N2.2C9H11N.2C8H8FN.C8H10FN.C8H8FN.C8H18N2.C8H9N.C7H15N3O.C7H14N2O.C5H12N2O2S.C5H10N2O.CH4/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;1-2-4-11-9(3-1)7-10-5-6-13-8-12(10)11;1-9-3-2-4-10(11(9)12)14-7-5-13-6-8-14;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14;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;1-8-2-3-9-4-5-11-7-10(9)6-8;1-2-7-11(6-1)9-4-3-5-10-8-9;1-7-2-3-9-8(6-7)4-5-10-9;1-2-4-9-7-10-6-5-8(9)3-1;9-8-2-1-6-4-10-5-7(6)3-8;9-8-3-1-2-6-4-10-5-7(6)8;9-7-2-1-3-8-6(7)4-5-10-8;9-7-3-1-2-6-4-5-10-8(6)7;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;1-4,13H,5-8H2;2-4,13H,5-8H2,1H3;1-4,12-13H,5-7H2;2-5,12H,6-9H2,1H3;1-2,7,13H,3-6H2;1-4,11H,5-8H2;10-11H,1-9H2;2-3,6,11H,4-5,7H2,1H3;3-5,8H,1-2,6-7H2;2-3,6,10H,4-5H2,1H3;1-4,10H,5-7H2;2*1-3,10H,4-5H2;1,3,8,10H,2,4-5H2;1-3,10H,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);1H4/p+1.
What are the key properties of 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 3652.45 g/mol, XLogP of 25.08, 20 rotatable bonds, 25 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-(2,4-difluorophenyl)piperazine;2,3-dihydro-1H-indole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;5-fluoro-2,3-dihydro-1H-isoindole;methane;5-methyl-2,3-dihydro-1H-indole;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;7-methyl-1,2,3,4-tetrahydroisoquinoline;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 158645091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).