1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine

C117H176Cl2F2N18 — CID 159035456

About 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine

1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine (PubChem CID 159035456) has the molecular formula C117H176Cl2F2N18 and a molecular weight of 1943.72 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine.

Molecular Properties

• Compound Name: 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
• PubChem CID: 159035456
• Molecular Formula: C117H176Cl2F2N18
• Molecular Weight: 1943.72 g/mol
• Exact Mass: 1941.37
• IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
• SMILES: Cc1cc(C)c(N2CCN(C)CC2)c(C)c1.Cc1cc(C)c(N2CCN(C)CC2)c(Cl)c1.Cc1cc(C)c(N2CCN(C)CC2)c(F)c1.Cc1ccc(N2CCN(C)CC2)c(C)c1.Cc1ccc(N2CCN(C)CC2)c(Cl)c1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)c(F)c1.Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1
• InChI: InChI=1S/C14H21FN2.2C14H22N2.C13H19ClN2.C13H19FN2.C13H20N2.C12H17ClN2.2C12H18N2/c1-10-5-6-14(13(15)7-10)17-8-11(2)16(4)12(3)9-17;1-11-9-12(2)14(13(3)10-11)16-7-5-15(4)6-8-16;1-11-5-7-14(8-6-11)16-9-12(2)15(4)13(3)10-16;2*1-10-8-11(2)13(12(14)9-10)16-6-4-15(3)5-7-16;1-11-4-5-13(12(2)10-11)15-8-6-14(3)7-9-15;1-10-3-4-12(11(13)9-10)15-7-5-14(2)6-8-15;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14/h5-7,11-12H,8-9H2,1-4H3;9-10H,5-8H2,1-4H3;5-8,12-13H,9-10H2,1-4H3;2*8-9H,4-7H2,1-3H3;4-5,10H,6-9H2,1-3H3;3-4,9H,5-8H2,1-2H3;3-6H,7-10H2,1-2H3;3-4,9,13H,5-8H2,1-2H3/t11-,12+;;12-,13+
• InChIKey: JVKBMPAWBDGVPS-XKIBEUJKSA-N
• XLogP: 20.37
• TPSA: 67.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1943.72
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine (CID 159035456) is 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine.

What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine is Cc1cc(C)c(N2CCN(C)CC2)c(C)c1.Cc1cc(C)c(N2CCN(C)CC2)c(Cl)c1.Cc1cc(C)c(N2CCN(C)CC2)c(F)c1.Cc1ccc(N2CCN(C)CC2)c(C)c1.Cc1ccc(N2CCN(C)CC2)c(Cl)c1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)c(F)c1.Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1.

What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

The InChIKey is JVKBMPAWBDGVPS-XKIBEUJKSA-N. The full InChI is InChI=1S/C14H21FN2.2C14H22N2.C13H19ClN2.C13H19FN2.C13H20N2.C12H17ClN2.2C12H18N2/c1-10-5-6-14(13(15)7-10)17-8-11(2)16(4)12(3)9-17;1-11-9-12(2)14(13(3)10-11)16-7-5-15(4)6-8-16;1-11-5-7-14(8-6-11)16-9-12(2)15(4)13(3)10-16;2*1-10-8-11(2)13(12(14)9-10)16-6-4-15(3)5-7-16;1-11-4-5-13(12(2)10-11)15-8-6-14(3)7-9-15;1-10-3-4-12(11(13)9-10)15-7-5-14(2)6-8-15;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14/h5-7,11-12H,8-9H2,1-4H3;9-10H,5-8H2,1-4H3;5-8,12-13H,9-10H2,1-4H3;2*8-9H,4-7H2,1-3H3;4-5,10H,6-9H2,1-3H3;3-4,9H,5-8H2,1-2H3;3-6H,7-10H2,1-2H3;3-4,9,13H,5-8H2,1-2H3/t11-,12+;;12-,13+;;;;;;.

What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine has a molecular weight of 1943.72 g/mol, XLogP of 20.37, 9 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 159035456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).