1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C164H223BrCl3F9N38O8 — CID 157253963

About 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 157253963) has the molecular formula C164H223BrCl3F9N38O8 and a molecular weight of 3212.09 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
• PubChem CID: 157253963
• Molecular Formula: C164H223BrCl3F9N38O8
• Molecular Weight: 3212.09 g/mol
• Exact Mass: 3207.63
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
• SMILES: C1=CN2CCCCCN2C1.CN1CCN(c2ncccn2)CC1.COc1cc(N2CCNCC2)ccc1Br.COc1ccc(N2CCNCC2)c(OC)c1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Clc1ccc(N2CCNCC2)cc1Cl.FC(F)(F)c1cc(N2CCNCC2)ccc1Cl.FC(F)(F)c1ccc(N2CCNCC2)nc1.FC(F)(F)c1ccnc(N2CCNCC2)c1.O=C(c1ccccc1)N1CCCC1.O=C(c1ccccc1)N1CCOC1.c1cc2c(cc1N1CCNCC1)OCO2.c1cnc(N2CCNCC2)nc1.c1cnc(N2CCNCC2)nc1
• InChI: InChI=1S/C12H18N2O2.2C12H18N2.C11H15BrN2O.C11H12ClF3N2.C11H14N2O2.C11H16N2.C11H13NO.C10H12Cl2N2.2C10H12F3N3.C10H11NO2.C9H14N4.2C8H12N4.C8H14N2/c1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14;1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14;1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17;1-2-10-11(15-8-14-10)7-9(1)13-5-3-12-4-6-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;13-11(12-8-4-5-9-12)10-6-2-1-3-7-10;11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14;11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;12-10(11-6-7-13-8-11)9-4-2-1-3-5-9;1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;2*1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-2-5-9-7-4-8-10(9)6-3-1/h3-4,9,13H,5-8H2,1-2H3;2*3-4,9,13H,5-8H2,1-2H3;2-3,8,13H,4-7H2,1H3;1-2,7,16H,3-6H2;1-2,7,12H,3-6,8H2;2-5,12H,6-9H2,1H3;1-3,6-7H,4-5,8-9H2;1-2,7,13H,3-6H2;2*1-2,7,14H,3-6H2;1-5H,6-8H2;2-4H,5-8H2,1H3;2*1-3,9H,4-7H2;4,7H,1-3,5-6,8H2
• InChIKey: AWQYLVRXAQZQQX-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 395.32 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 18
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3212.09
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'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-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 157253963) is 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is C1=CN2CCCCCN2C1.CN1CCN(c2ncccn2)CC1.COc1cc(N2CCNCC2)ccc1Br.COc1ccc(N2CCNCC2)c(OC)c1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Clc1ccc(N2CCNCC2)cc1Cl.FC(F)(F)c1cc(N2CCNCC2)ccc1Cl.FC(F)(F)c1ccc(N2CCNCC2)nc1.FC(F)(F)c1ccnc(N2CCNCC2)c1.O=C(c1ccccc1)N1CCCC1.O=C(c1ccccc1)N1CCOC1.c1cc2c(cc1N1CCNCC1)OCO2.c1cnc(N2CCNCC2)nc1.c1cnc(N2CCNCC2)nc1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

The InChIKey is AWQYLVRXAQZQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.2C12H18N2.C11H15BrN2O.C11H12ClF3N2.C11H14N2O2.C11H16N2.C11H13NO.C10H12Cl2N2.2C10H12F3N3.C10H11NO2.C9H14N4.2C8H12N4.C8H14N2/c1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14;1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14;1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17;1-2-10-11(15-8-14-10)7-9(1)13-5-3-12-4-6-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;13-11(12-8-4-5-9-12)10-6-2-1-3-7-10;11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14;11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;12-10(11-6-7-13-8-11)9-4-2-1-3-5-9;1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;2*1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-2-5-9-7-4-8-10(9)6-3-1/h3-4,9,13H,5-8H2,1-2H3;2*3-4,9,13H,5-8H2,1-2H3;2-3,8,13H,4-7H2,1H3;1-2,7,16H,3-6H2;1-2,7,12H,3-6,8H2;2-5,12H,6-9H2,1H3;1-3,6-7H,4-5,8-9H2;1-2,7,13H,3-6H2;2*1-2,7,14H,3-6H2;1-5H,6-8H2;2-4H,5-8H2,1H3;2*1-3,9H,4-7H2;4,7H,1-3,5-6,8H2.

What are the key properties of 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?

1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 3212.09 g/mol, XLogP of 21.08, 18 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;bis(2-piperazin-1-ylpyrimidine);1-[4-(trifluoromethyl)-2-pyridinyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 157253963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).