4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline

C124H174F2N24O6 — CID 159689062

About 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline

4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline (PubChem CID 159689062) has the molecular formula C124H174F2N24O6 and a molecular weight of 2134.91 g/mol. Its IUPAC name is 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline.

Molecular Properties

• Compound Name: 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline
• PubChem CID: 159689062
• Molecular Formula: C124H174F2N24O6
• Molecular Weight: 2134.91 g/mol
• Exact Mass: 2133.40
• IUPAC Name: 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline
• SMILES: CCCCOc1cc(N2CCN(c3ccc(N)c(OCCCC)c3)CC2)ccc1N.CCCOc1cc(N2CCN(c3ccc(N)c(OCCC)c3)CC2)ccc1N.CCCc1cc(N)ccc1N1CCN(c2ccc(N)cc2CCC)CC1.CCOc1cc(N2CCN(c3ccc(N)c(OCC)c3)CC2)ccc1N.CCc1cc(N)ccc1N1CCN(c2ccc(N)cc2CC)CC1.Nc1ccc(N2CCN(c3ccc(N)c(F)c3)CC2)cc1F
• InChI: InChI=1S/C24H36N4O2.C22H32N4O2.C22H32N4.C20H28N4O2.C20H28N4.C16H18F2N4/c1-3-5-15-29-23-17-19(7-9-21(23)25)27-11-13-28(14-12-27)20-8-10-22(26)24(18-20)30-16-6-4-2;1-3-13-27-21-15-17(5-7-19(21)23)25-9-11-26(12-10-25)18-6-8-20(24)22(16-18)28-14-4-2;1-3-5-17-15-19(23)7-9-21(17)25-11-13-26(14-12-25)22-10-8-20(24)16-18(22)6-4-2;1-3-25-19-13-15(5-7-17(19)21)23-9-11-24(12-10-23)16-6-8-18(22)20(14-16)26-4-2;1-3-15-13-17(21)5-7-19(15)23-9-11-24(12-10-23)20-8-6-18(22)14-16(20)4-2;17-13-9-11(1-3-15(13)19)21-5-7-22(8-6-21)12-2-4-16(20)14(18)10-12/h7-10,17-18H,3-6,11-16,25-26H2,1-2H3;5-8,15-16H,3-4,9-14,23-24H2,1-2H3;7-10,15-16H,3-6,11-14,23-24H2,1-2H3;5-8,13-14H,3-4,9-12,21-22H2,1-2H3;5-8,13-14H,3-4,9-12,21-22H2,1-2H3;1-4,9-10H,5-8,19-20H2
• InChIKey: MWEFKCKAVVYLMI-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 406.50 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 36
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2134.91
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline?

The IUPAC name of 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline (CID 159689062) is 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline.

What is the SMILES notation for 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline?

The canonical SMILES for 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline is CCCCOc1cc(N2CCN(c3ccc(N)c(OCCCC)c3)CC2)ccc1N.CCCOc1cc(N2CCN(c3ccc(N)c(OCCC)c3)CC2)ccc1N.CCCc1cc(N)ccc1N1CCN(c2ccc(N)cc2CCC)CC1.CCOc1cc(N2CCN(c3ccc(N)c(OCC)c3)CC2)ccc1N.CCc1cc(N)ccc1N1CCN(c2ccc(N)cc2CC)CC1.Nc1ccc(N2CCN(c3ccc(N)c(F)c3)CC2)cc1F.

What is the InChIKey of 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline?

The InChIKey is MWEFKCKAVVYLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2.C22H32N4O2.C22H32N4.C20H28N4O2.C20H28N4.C16H18F2N4/c1-3-5-15-29-23-17-19(7-9-21(23)25)27-11-13-28(14-12-27)20-8-10-22(26)24(18-20)30-16-6-4-2;1-3-13-27-21-15-17(5-7-19(21)23)25-9-11-26(12-10-25)18-6-8-20(24)22(16-18)28-14-4-2;1-3-5-17-15-19(23)7-9-21(17)25-11-13-26(14-12-25)22-10-8-20(24)16-18(22)6-4-2;1-3-25-19-13-15(5-7-17(19)21)23-9-11-24(12-10-23)16-6-8-18(22)20(14-16)26-4-2;1-3-15-13-17(21)5-7-19(15)23-9-11-24(12-10-23)20-8-6-18(22)14-16(20)4-2;17-13-9-11(1-3-15(13)19)21-5-7-22(8-6-21)12-2-4-16(20)14(18)10-12/h7-10,17-18H,3-6,11-16,25-26H2,1-2H3;5-8,15-16H,3-4,9-14,23-24H2,1-2H3;7-10,15-16H,3-6,11-14,23-24H2,1-2H3;5-8,13-14H,3-4,9-12,21-22H2,1-2H3;5-8,13-14H,3-4,9-12,21-22H2,1-2H3;1-4,9-10H,5-8,19-20H2.

What are the key properties of 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline?

4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline has a molecular weight of 2134.91 g/mol, XLogP of 21.11, 36 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-amino-3-butoxyphenyl)piperazin-1-yl]-2-butoxyaniline;4-[4-(4-amino-3-ethoxyphenyl)piperazin-1-yl]-2-ethoxyaniline;4-[4-(4-amino-2-ethylphenyl)piperazin-1-yl]-3-ethylaniline;4-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]-2-fluoroaniline;4-[4-(4-amino-3-propoxyphenyl)piperazin-1-yl]-2-propoxyaniline;4-[4-(4-amino-2-propylphenyl)piperazin-1-yl]-3-propylaniline is sourced from PubChem (CID 159689062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).