1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine

C128H190N20S — CID 159229911

About 1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine

1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine (PubChem CID 159229911) has the molecular formula C128H190N20S and a molecular weight of 2041.13 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine.

Molecular Properties

• Compound Name: 1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
• PubChem CID: 159229911
• Molecular Formula: C128H190N20S
• Molecular Weight: 2041.13 g/mol
• Exact Mass: 2039.52
• IUPAC Name: 1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
• SMILES: Cc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCNCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN(C3CC3)CC2)cc1.Cc1ccc(N2CCN3CCCC3C2)cc1.Cc1ccc(N2CCN3CCCC3C2)s1.Cc1ccc(N2CCN3CCCCC3C2)cc1.Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1.Cc1cnc(N2CCN(C)CC2)nc1
• InChI: InChI=1S/C15H22N2.2C14H20N2.C14H22N2.C13H19N.C12H18N2S.2C12H18N2.C12H17N.C10H16N4/c1-13-5-7-14(8-6-13)17-11-10-16-9-3-2-4-15(16)12-17;1-12-2-4-13(5-3-12)15-8-10-16(11-9-15)14-6-7-14;1-12-4-6-13(7-5-12)16-10-9-15-8-2-3-14(15)11-16;1-11-5-7-14(8-6-11)16-9-12(2)15(4)13(3)10-16;1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13;1-10-4-5-12(15-10)14-8-7-13-6-2-3-11(13)9-14;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-3-5-12(6-4-11)14-9-2-7-13-8-10-14;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-9-7-11-10(12-8-9)14-5-3-13(2)4-6-14/h5-8,15H,2-4,9-12H2,1H3;2-5,14H,6-11H2,1H3;4-7,14H,2-3,8-11H2,1H3;5-8,12-13H,9-10H2,1-4H3;3-6,13H,7-10H2,1-2H3;4-5,11H,2-3,6-9H2,1H3;3-6H,7-10H2,1-2H3;3-6,13H,2,7-10H2,1H3;5-8H,2-4,9-10H2,1H3;7-8H,3-6H2,1-2H3/t;;;12-,13+
• InChIKey: KSTOFWCRGRFYHQ-BJUWLWCISA-N
• XLogP: 21.96
• TPSA: 92.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2041.13
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

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-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

The IUPAC name of 1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine (CID 159229911) is 1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine.

What is the SMILES notation for 1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

The canonical SMILES for 1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine is Cc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCNCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN(C3CC3)CC2)cc1.Cc1ccc(N2CCN3CCCC3C2)cc1.Cc1ccc(N2CCN3CCCC3C2)s1.Cc1ccc(N2CCN3CCCCC3C2)cc1.Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1.Cc1cnc(N2CCN(C)CC2)nc1.

What is the InChIKey of 1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

The InChIKey is KSTOFWCRGRFYHQ-BJUWLWCISA-N. The full InChI is InChI=1S/C15H22N2.2C14H20N2.C14H22N2.C13H19N.C12H18N2S.2C12H18N2.C12H17N.C10H16N4/c1-13-5-7-14(8-6-13)17-11-10-16-9-3-2-4-15(16)12-17;1-12-2-4-13(5-3-12)15-8-10-16(11-9-15)14-6-7-14;1-12-4-6-13(7-5-12)16-10-9-15-8-2-3-14(15)11-16;1-11-5-7-14(8-6-11)16-9-12(2)15(4)13(3)10-16;1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13;1-10-4-5-12(15-10)14-8-7-13-6-2-3-11(13)9-14;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-3-5-12(6-4-11)14-9-2-7-13-8-10-14;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-9-7-11-10(12-8-9)14-5-3-13(2)4-6-14/h5-8,15H,2-4,9-12H2,1H3;2-5,14H,6-11H2,1H3;4-7,14H,2-3,8-11H2,1H3;5-8,12-13H,9-10H2,1-4H3;3-6,13H,7-10H2,1-2H3;4-5,11H,2-3,6-9H2,1H3;3-6H,7-10H2,1-2H3;3-6,13H,2,7-10H2,1H3;5-8H,2-4,9-10H2,1H3;7-8H,3-6H2,1-2H3/t;;;12-,13+;;;;;;.

What are the key properties of 1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine?

1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine has a molecular weight of 2041.13 g/mol, XLogP of 21.96, 11 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 159229911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).