1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide

C131H193ClF3N29O8 — CID 159620289

About 1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide

1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide (PubChem CID 159620289) has the molecular formula C131H193ClF3N29O8 and a molecular weight of 2394.63 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide.

Molecular Properties

• Compound Name: 1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide
• PubChem CID: 159620289
• Molecular Formula: C131H193ClF3N29O8
• Molecular Weight: 2394.63 g/mol
• Exact Mass: 2392.52
• IUPAC Name: 1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide
• SMILES: CC(=O)c1ccc(N2CCNCC2)cc1.CC(F)(F)c1ccc(N2CCNCC2)nc1.CN(C)C(=O)C1CCCN1.COc1ccc(N2CCNCC2)c(OC)c1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)c(F)c1.Cc1ccc(N2CCNCC2)cc1.Cc1cccc(N2CCNCC2)c1Cl.NC(=O)C1CCCN1.O=[NH+]c1ccc(N2CCNCC2)cc1.[OH-].c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1
• InChI: InChI=1S/C12H18N2O2.C12H16N2O.C12H18N2.C12H17NO.C11H15ClN2.C11H15F2N3.C11H15FN2.C11H16N2.C10H13N3O.C9H12N2.C8H12N4.C7H14N2O.C5H10N2O.H2O/c1-15-10-3-4-11(12(9-10)16-2)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(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;1-9-3-2-4-10(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;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;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;1-9(2)7(10)6-4-3-5-8-6;6-5(8)4-2-1-3-7-4;/h3-4,9,13H,5-8H2,1-2H3;2-5,13H,6-9H2,1H3;3-4,9,13H,5-8H2,1-2H3;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;1-4,11H,5-8H2;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;6,8H,3-5H2,1-2H3;4,7H,1-3H2,(H2,6,8);1H2
• InChIKey: MZAMKXQNABWOCE-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 388.73 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2394.63
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide?

The IUPAC name of 1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide (CID 159620289) is 1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide.

What is the SMILES notation for 1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide?

The canonical SMILES for 1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide is CC(=O)c1ccc(N2CCNCC2)cc1.CC(F)(F)c1ccc(N2CCNCC2)nc1.CN(C)C(=O)C1CCCN1.COc1ccc(N2CCNCC2)c(OC)c1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)c(F)c1.Cc1ccc(N2CCNCC2)cc1.Cc1cccc(N2CCNCC2)c1Cl.NC(=O)C1CCCN1.O=[NH+]c1ccc(N2CCNCC2)cc1.[OH-].c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1.

What is the InChIKey of 1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide?

The InChIKey is MZAMKXQNABWOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.C12H16N2O.C12H18N2.C12H17NO.C11H15ClN2.C11H15F2N3.C11H15FN2.C11H16N2.C10H13N3O.C9H12N2.C8H12N4.C7H14N2O.C5H10N2O.H2O/c1-15-10-3-4-11(12(9-10)16-2)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(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;1-9-3-2-4-10(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;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;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;1-9(2)7(10)6-4-3-5-8-6;6-5(8)4-2-1-3-7-4;/h3-4,9,13H,5-8H2,1-2H3;2-5,13H,6-9H2,1H3;3-4,9,13H,5-8H2,1-2H3;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;1-4,11H,5-8H2;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;6,8H,3-5H2,1-2H3;4,7H,1-3H2,(H2,6,8);1H2.

What are the key properties of 1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide?

1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide has a molecular weight of 2394.63 g/mol, XLogP of 12.91, 21 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;N,N-dimethylpyrrolidine-2-carboxamide;1-(2-fluoro-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;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;hydroxide is sourced from PubChem (CID 159620289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).