1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C103H148ClF5N25O6S+ — CID 158970406

About 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 158970406) has the molecular formula C103H148ClF5N25O6S+ and a molecular weight of 1995.00 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

• Compound Name: 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
• PubChem CID: 158970406
• Molecular Formula: C103H148ClF5N25O6S+
• Molecular Weight: 1995.00 g/mol
• Exact Mass: 1993.14
• IUPAC Name: 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
• SMILES: CC(=O)c1ccc(N2CCNCC2)cc1.CS(=O)(=O)N1CCNCC1.Cc1ccc(N2CCNCC2)cc1.Cc1cccc(N2CCNCC2)c1Cl.FC(F)(F)c1ccc(N2CCNCC2)nc1.Fc1ccc(N2CCNCC2)c(F)c1.NC(=O)C1CCCN1.O=[NH+]c1ccc(N2CCNCC2)cc1.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1
• InChI: InChI=1S/C12H16N2O.C12H17NO.C11H15ClN2.C11H16N2.C10H12F3N3.C10H12F2N2.C10H13N3O.C9H12N2.C8H12N4.C5H12N2O2S.C5H10N2O/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;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;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;1-2-7-11(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;6-5(8)4-2-1-3-7-4/h2-5,13H,6-9H2,1H3;1-3,6-7H,4-5,8-11H2;2-4,13H,5-8H2,1H3;2-5,12H,6-9H2,1H3;1-2,7,14H,3-6H2;1-2,7,13H,3-6H2;1-4,11H,5-8H2;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;6H,2-5H2,1H3;4,7H,1-3H2,(H2,6,8)/p+1
• InChIKey: JNSWCWOGFOCPSA-UHFFFAOYSA-O
• XLogP: 9.02
• TPSA: 326.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1995.00
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

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'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

The IUPAC name of 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 158970406) is 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

What is the SMILES notation for 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

The canonical SMILES for 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is CC(=O)c1ccc(N2CCNCC2)cc1.CS(=O)(=O)N1CCNCC1.Cc1ccc(N2CCNCC2)cc1.Cc1cccc(N2CCNCC2)c1Cl.FC(F)(F)c1ccc(N2CCNCC2)nc1.Fc1ccc(N2CCNCC2)c(F)c1.NC(=O)C1CCCN1.O=[NH+]c1ccc(N2CCNCC2)cc1.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1.

What is the InChIKey of 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

The InChIKey is JNSWCWOGFOCPSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H16N2O.C12H17NO.C11H15ClN2.C11H16N2.C10H12F3N3.C10H12F2N2.C10H13N3O.C9H12N2.C8H12N4.C5H12N2O2S.C5H10N2O/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;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;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;1-2-7-11(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;6-5(8)4-2-1-3-7-4/h2-5,13H,6-9H2,1H3;1-3,6-7H,4-5,8-11H2;2-4,13H,5-8H2,1H3;2-5,12H,6-9H2,1H3;1-2,7,14H,3-6H2;1-2,7,13H,3-6H2;1-4,11H,5-8H2;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;6H,2-5H2,1H3;4,7H,1-3H2,(H2,6,8)/p+1.

What are the key properties of 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 1995.00 g/mol, XLogP of 9.02, 16 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-3-methylphenyl)piperazine;1-(2,4-difluorophenyl)piperazine;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;pyrrolidine-2-carboxamide;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 158970406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).