1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine

C102H148F9N17O8 — CID 161244589

About 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine

1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine (PubChem CID 161244589) has the molecular formula C102H148F9N17O8 and a molecular weight of 1911.40 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine.

Molecular Properties

• Compound Name: 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine
• PubChem CID: 161244589
• Molecular Formula: C102H148F9N17O8
• Molecular Weight: 1911.40 g/mol
• Exact Mass: 1910.16
• IUPAC Name: 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine
• SMILES: CCCOc1cc(N2CCNCC2)ccc1OCCOC.CNCCN(C)c1ccc(OCCOC)cc1C(F)(F)F.COCCOc1ccc(N2CCNCC2)c(C(F)(F)F)c1.Cc1cc(F)ccc1N1CCNCC1.Cc1ccc(N2CCNCC2)c(F)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1F.c1cc(N2CCOCC2)ccc1N1CCNCC1
• InChI: InChI=1S/C16H26N2O3.C14H19F3N2O2.C14H21F3N2O2.C14H21N3O.3C11H15FN2.C11H16N2/c1-3-10-20-16-13-14(18-8-6-17-7-9-18)4-5-15(16)21-12-11-19-2;1-20-8-9-21-11-2-3-13(12(10-11)14(15,16)17)19-6-4-18-5-7-19;1-18-6-7-19(2)13-5-4-11(21-9-8-20-3)10-12(13)14(15,16)17;1-3-14(17-9-11-18-12-10-17)4-2-13(1)16-7-5-15-6-8-16;1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14;1-9-2-3-10(8-11(9)12)14-6-4-13-5-7-14;1-9-2-3-11(10(12)8-9)14-6-4-13-5-7-14;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h4-5,13,17H,3,6-12H2,1-2H3;2-3,10,18H,4-9H2,1H3;4-5,10,18H,6-9H2,1-3H3;1-4,15H,5-12H2;3*2-3,8,13H,4-7H2,1H3;2-5,12H,6-9H2,1H3
• InChIKey: VALOYDQRJKVNRO-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 199.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1911.40
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine?

The IUPAC name of 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine (CID 161244589) is 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine.

What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine?

The canonical SMILES for 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine is CCCOc1cc(N2CCNCC2)ccc1OCCOC.CNCCN(C)c1ccc(OCCOC)cc1C(F)(F)F.COCCOc1ccc(N2CCNCC2)c(C(F)(F)F)c1.Cc1cc(F)ccc1N1CCNCC1.Cc1ccc(N2CCNCC2)c(F)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1F.c1cc(N2CCOCC2)ccc1N1CCNCC1.

What is the InChIKey of 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine?

The InChIKey is VALOYDQRJKVNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.C14H19F3N2O2.C14H21F3N2O2.C14H21N3O.3C11H15FN2.C11H16N2/c1-3-10-20-16-13-14(18-8-6-17-7-9-18)4-5-15(16)21-12-11-19-2;1-20-8-9-21-11-2-3-13(12(10-11)14(15,16)17)19-6-4-18-5-7-19;1-18-6-7-19(2)13-5-4-11(21-9-8-20-3)10-12(13)14(15,16)17;1-3-14(17-9-11-18-12-10-17)4-2-13(1)16-7-5-15-6-8-16;1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14;1-9-2-3-10(8-11(9)12)14-6-4-13-5-7-14;1-9-2-3-11(10(12)8-9)14-6-4-13-5-7-14;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h4-5,13,17H,3,6-12H2,1-2H3;2-3,10,18H,4-9H2,1H3;4-5,10,18H,6-9H2,1-3H3;1-4,15H,5-12H2;3*2-3,8,13H,4-7H2,1H3;2-5,12H,6-9H2,1H3.

What are the key properties of 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine?

1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine has a molecular weight of 1911.40 g/mol, XLogP of 13.41, 27 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine is sourced from PubChem (CID 161244589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).