1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine

C150H259ClFN37O7 — CID 160935466

About 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine

1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine (PubChem CID 160935466) has the molecular formula C150H259ClFN37O7 and a molecular weight of 2747.42 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine
• PubChem CID: 160935466
• Molecular Formula: C150H259ClFN37O7
• Molecular Weight: 2747.42 g/mol
• Exact Mass: 2745.07
• IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine
• SMILES: CC(=O)N1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C=O)CC1.CN1CCN(CCOCCO)CC1.CN1CCN(Cc2ccc3c(c2)OCO3)CC1.CN1CCN(c2ccc(Cl)cc2)CC1.CN1CCN(c2ccc(F)cc2)CC1.CN1CCN(c2ccc(O)cc2)CC1.CN1CCN(c2ccc3ccccc3c2)CC1.CN1CCN(c2ccccn2)CC1.CN1CCN(c2ncccn2)CC1.CN1CCNCC1.Cc1ccc(N2CCN(C)CC2)cc1
• InChI: InChI=1S/C15H18N2.C13H18N2O2.C12H18N2.C11H15ClN2.C11H15FN2.C11H16N2O.C10H15N3.C9H14N4.C9H20N2O2.C7H14N2O.C7H16N2.C6H12N2O.4C6H14N2.C5H12N2/c1-16-8-10-17(11-9-16)15-7-6-13-4-2-3-5-14(13)12-15;1-14-4-6-15(7-5-14)9-11-2-3-12-13(8-11)17-10-16-12;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;2*1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;1-12-6-8-13(9-7-12)10-2-4-11(14)5-3-10;1-12-6-8-13(9-7-12)10-4-2-3-5-11-10;1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;1-10-2-4-11(5-3-10)6-8-13-9-7-12;1-7(10)9-5-3-8(2)4-6-9;1-3-9-6-4-8(2)5-7-9;1-7-2-4-8(6-9)5-3-7;4*1-7-3-5-8(2)6-4-7;1-7-4-2-6-3-5-7/h2-7,12H,8-11H2,1H3;2-3,8H,4-7,9-10H2,1H3;3-6H,7-10H2,1-2H3;2*2-5H,6-9H2,1H3;2-5,14H,6-9H2,1H3;2-5H,6-9H2,1H3;2-4H,5-8H2,1H3;12H,2-9H2,1H3;3-6H2,1-2H3;3-7H2,1-2H3;6H,2-5H2,1H3;4*3-6H2,1-2H3;6H,2-5H2,1H3
• InChIKey: STUYCJVISGCSGX-UHFFFAOYSA-N
• XLogP: 9.02
• TPSA: 259.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 16
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2747.42
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine?

The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine (CID 160935466) is 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine.

What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine?

The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine is CC(=O)N1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C=O)CC1.CN1CCN(CCOCCO)CC1.CN1CCN(Cc2ccc3c(c2)OCO3)CC1.CN1CCN(c2ccc(Cl)cc2)CC1.CN1CCN(c2ccc(F)cc2)CC1.CN1CCN(c2ccc(O)cc2)CC1.CN1CCN(c2ccc3ccccc3c2)CC1.CN1CCN(c2ccccn2)CC1.CN1CCN(c2ncccn2)CC1.CN1CCNCC1.Cc1ccc(N2CCN(C)CC2)cc1.

What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine?

The InChIKey is STUYCJVISGCSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.C13H18N2O2.C12H18N2.C11H15ClN2.C11H15FN2.C11H16N2O.C10H15N3.C9H14N4.C9H20N2O2.C7H14N2O.C7H16N2.C6H12N2O.4C6H14N2.C5H12N2/c1-16-8-10-17(11-9-16)15-7-6-13-4-2-3-5-14(13)12-15;1-14-4-6-15(7-5-14)9-11-2-3-12-13(8-11)17-10-16-12;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;2*1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;1-12-6-8-13(9-7-12)10-2-4-11(14)5-3-10;1-12-6-8-13(9-7-12)10-4-2-3-5-11-10;1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;1-10-2-4-11(5-3-10)6-8-13-9-7-12;1-7(10)9-5-3-8(2)4-6-9;1-3-9-6-4-8(2)5-7-9;1-7-2-4-8(6-9)5-3-7;4*1-7-3-5-8(2)6-4-7;1-7-4-2-6-3-5-7/h2-7,12H,8-11H2,1H3;2-3,8H,4-7,9-10H2,1H3;3-6H,7-10H2,1-2H3;2*2-5H,6-9H2,1H3;2-5,14H,6-9H2,1H3;2-5H,6-9H2,1H3;2-4H,5-8H2,1H3;12H,2-9H2,1H3;3-6H2,1-2H3;3-7H2,1-2H3;6H,2-5H2,1H3;4*3-6H2,1-2H3;6H,2-5H2,1H3.

What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine?

1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine has a molecular weight of 2747.42 g/mol, XLogP of 9.02, 16 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 160935466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).