1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine

C131H212ClF3N29O8S+ — CID 160550877

About 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine

1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine (PubChem CID 160550877) has the molecular formula C131H212ClF3N29O8S+ and a molecular weight of 2445.85 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine.

Molecular Properties

• Compound Name: 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine
• PubChem CID: 160550877
• Molecular Formula: C131H212ClF3N29O8S+
• Molecular Weight: 2445.85 g/mol
• Exact Mass: 2443.64
• IUPAC Name: 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine
• SMILES: C1CCC(N2CCNCC2)CC1.CC(=O)C1CCCN1.CC(=O)c1ccc(N2CCNCC2)cc1.CC(C)CN1CCNCC1.CC(F)(F)c1ccc(N2CCNCC2)nc1.CN(C)C(=O)C1CCNC1.CNC(=O)CN1CCNCC1.CS(=O)(=O)N1CCNCC1.C[N+](=O)c1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)c(F)c1.Cc1ccc(N2CCNCC2)cc1.Cc1cccc(N2CCNCC2)c1Cl.c1ccc(OCCN2CCCC2)cc1.c1cncc(N2CCCC2)c1
• InChI: InChI=1S/C12H16N2O.C12H17NO.C11H15ClN2.C11H15F2N3.C11H15FN2.C11H16N3O.C11H16N2.C10H20N2.C9H12N2.C8H18N2.C7H15N3O.C7H14N2O.C6H11NO.C5H12N2O2S/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;1-9-3-2-4-10(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;1-13(15)10-2-4-11(5-3-10)14-8-6-12-7-9-14;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2-7-11(6-1)9-4-3-5-10-8-9;1-8(2)7-10-5-3-9-4-6-10;1-8-7(11)6-10-4-2-9-3-5-10;1-9(2)7(10)6-3-4-8-5-6;1-5(8)6-3-2-4-7-6;1-10(8,9)7-4-2-6-3-5-7/h2-5,13H,6-9H2,1H3;1-3,6-7H,4-5,8-11H2;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;2-5,12H,6-9H2,1H3;10-11H,1-9H2;3-5,8H,1-2,6-7H2;8-9H,3-7H2,1-2H3;9H,2-6H2,1H3,(H,8,11);6,8H,3-5H2,1-2H3;6-7H,2-4H2,1H3;6H,2-5H2,1H3/q;;;;;+1
• InChIKey: QYBAIDSHJNXUHG-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 356.02 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2445.85
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine?

The IUPAC name of 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine (CID 160550877) is 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine.

What is the SMILES notation for 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine?

The canonical SMILES for 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine is C1CCC(N2CCNCC2)CC1.CC(=O)C1CCCN1.CC(=O)c1ccc(N2CCNCC2)cc1.CC(C)CN1CCNCC1.CC(F)(F)c1ccc(N2CCNCC2)nc1.CN(C)C(=O)C1CCNC1.CNC(=O)CN1CCNCC1.CS(=O)(=O)N1CCNCC1.C[N+](=O)c1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)c(F)c1.Cc1ccc(N2CCNCC2)cc1.Cc1cccc(N2CCNCC2)c1Cl.c1ccc(OCCN2CCCC2)cc1.c1cncc(N2CCCC2)c1.

What is the InChIKey of 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine?

The InChIKey is QYBAIDSHJNXUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C12H17NO.C11H15ClN2.C11H15F2N3.C11H15FN2.C11H16N3O.C11H16N2.C10H20N2.C9H12N2.C8H18N2.C7H15N3O.C7H14N2O.C6H11NO.C5H12N2O2S/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;1-9-3-2-4-10(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;1-13(15)10-2-4-11(5-3-10)14-8-6-12-7-9-14;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2-7-11(6-1)9-4-3-5-10-8-9;1-8(2)7-10-5-3-9-4-6-10;1-8-7(11)6-10-4-2-9-3-5-10;1-9(2)7(10)6-3-4-8-5-6;1-5(8)6-3-2-4-7-6;1-10(8,9)7-4-2-6-3-5-7/h2-5,13H,6-9H2,1H3;1-3,6-7H,4-5,8-11H2;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;2-5,12H,6-9H2,1H3;10-11H,1-9H2;3-5,8H,1-2,6-7H2;8-9H,3-7H2,1-2H3;9H,2-6H2,1H3,(H,8,11);6,8H,3-5H2,1-2H3;6-7H,2-4H2,1H3;6H,2-5H2,1H3/q;;;;;+1;;;;;;;;.

What are the key properties of 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine?

1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine has a molecular weight of 2445.85 g/mol, XLogP of 12.16, 22 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-3-methylphenyl)piperazine;1-cyclohexylpiperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;N,N-dimethylpyrrolidine-3-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;methyl-oxo-(4-piperazin-1-ylphenyl)azanium;1-(4-methylphenyl)piperazine;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-methylsulfonylpiperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;1-pyrrolidin-2-ylethanone;3-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 160550877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).