1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine

C132H189ClF7N27O5 — CID 158997435

About 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine

1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine (PubChem CID 158997435) has the molecular formula C132H189ClF7N27O5 and a molecular weight of 2402.59 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine
• PubChem CID: 158997435
• Molecular Formula: C132H189ClF7N27O5
• Molecular Weight: 2402.59 g/mol
• Exact Mass: 2400.49
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine
• SMILES: C1=CN2CCCCCN2C1.CC(F)(F)c1ccc(N2CCNCC2)nc1.CC(F)(F)c1cccc(N2CCNCC2)c1.COc1cc(N2CCNCC2)ccc1C.COc1ccc(N2CCNCC2)c(OC)c1.Cc1cc(N2CCNCC2)ccc1Cl.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)cc1C(F)(F)F.c1cc2c(cc1N1CCNCC1)OCO2.c1cnc(N2CCNCC2)nc1
• InChI: InChI=1S/C12H15F3N2.C12H16F2N2.C12H18N2O2.C12H18N2O.2C12H18N2.C11H15ClN2.C11H15F2N3.C11H14N2O2.C11H16N2.C8H12N4.C8H14N2/c1-9-2-3-10(8-11(9)12(13,14)15)17-6-4-16-5-7-17;1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14;1-10-3-4-11(9-12(10)15-2)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;1-9-8-10(2-3-11(9)12)14-6-4-13-5-7-14;1-11(12,13)9-2-3-10(15-8-9)16-6-4-14-5-7-16;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;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/h2-3,8,16H,4-7H2,1H3;2-4,9,15H,5-8H2,1H3;3-4,9,13H,5-8H2,1-2H3;3-4,9,13H,5-8H2,1-2H3;2*3-4,9,13H,5-8H2,1-2H3;2-3,8,13H,4-7H2,1H3;2-3,8,14H,4-7H2,1H3;1-2,7,12H,3-6,8H2;2-5,12H,6-9H2,1H3;1-3,9H,4-7H2;4,7H,1-3,5-6,8H2
• InChIKey: JQXJDLXGIYMVCO-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 259.27 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2402.59
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

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-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine (CID 158997435) is 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine is C1=CN2CCCCCN2C1.CC(F)(F)c1ccc(N2CCNCC2)nc1.CC(F)(F)c1cccc(N2CCNCC2)c1.COc1cc(N2CCNCC2)ccc1C.COc1ccc(N2CCNCC2)c(OC)c1.Cc1cc(N2CCNCC2)ccc1Cl.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)cc1C(F)(F)F.c1cc2c(cc1N1CCNCC1)OCO2.c1cnc(N2CCNCC2)nc1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine?

The InChIKey is JQXJDLXGIYMVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.C12H16F2N2.C12H18N2O2.C12H18N2O.2C12H18N2.C11H15ClN2.C11H15F2N3.C11H14N2O2.C11H16N2.C8H12N4.C8H14N2/c1-9-2-3-10(8-11(9)12(13,14)15)17-6-4-16-5-7-17;1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14;1-10-3-4-11(9-12(10)15-2)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;1-9-8-10(2-3-11(9)12)14-6-4-13-5-7-14;1-11(12,13)9-2-3-10(15-8-9)16-6-4-14-5-7-16;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;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/h2-3,8,16H,4-7H2,1H3;2-4,9,15H,5-8H2,1H3;3-4,9,13H,5-8H2,1-2H3;3-4,9,13H,5-8H2,1-2H3;2*3-4,9,13H,5-8H2,1-2H3;2-3,8,13H,4-7H2,1H3;2-3,8,14H,4-7H2,1H3;1-2,7,12H,3-6,8H2;2-5,12H,6-9H2,1H3;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-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine?

1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine has a molecular weight of 2402.59 g/mol, XLogP of 17.58, 16 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]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-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 158997435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).