1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one)

C156H172F2N26O9S — CID 161046173

About 1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one)

1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one) (PubChem CID 161046173) has the molecular formula C156H172F2N26O9S and a molecular weight of 2625.33 g/mol. Its IUPAC name is 1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one).

Molecular Properties

• Compound Name: 1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one)
• PubChem CID: 161046173
• Molecular Formula: C156H172F2N26O9S
• Molecular Weight: 2625.33 g/mol
• Exact Mass: 2623.35
• IUPAC Name: 1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one)
• SMILES: CC(=O)Cc1cccc(Cc2ncnc(N3CC(Oc4ccc(C)cc4)C3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CC=C(c4cccc(C)c4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(C)cc4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(C)cc4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(c4nc(-c5ccccc5)cs4)CC3)n2)c1F.CC(=O)Cc1cccc(Cc2ncnc(N3CCN(c4ccc(C)c(C)c4)CC3)n2)c1F
• InChI: InChI=1S/C27H26FN5OS.2C27H32N4O2.C26H28N4O.C25H28FN5O.C24H26N4O2/c1-18(34)14-21-8-5-9-22(25(21)28)15-24-29-17-30-27(32-24)33-12-10-20(11-13-33)26-31-23(16-35-26)19-6-3-2-4-7-19;2*1-19-7-9-22(10-8-19)17-33-25-11-13-31(14-12-25)27-29-18-28-26(30-27)16-24-6-4-5-23(21(24)3)15-20(2)32;1-18-6-4-9-24(14-18)21-10-12-30(13-11-21)26-28-17-27-25(29-26)16-23-8-5-7-22(20(23)3)15-19(2)31;1-17-7-8-22(13-18(17)2)30-9-11-31(12-10-30)25-28-16-27-23(29-25)15-21-6-4-5-20(24(21)26)14-19(3)32;1-16-7-9-21(10-8-16)30-22-13-28(14-22)24-26-15-25-23(27-24)12-20-6-4-5-19(18(20)3)11-17(2)29/h2-9,16-17,20H,10-15H2,1H3;2*4-10,18,25H,11-17H2,1-3H3;4-10,14,17H,11-13,15-16H2,1-3H3;4-8,13,16H,9-12,14-15H2,1-3H3;4-10,15,22H,11-14H2,1-3H3
• InChIKey: UBNJCBGFIKWKMP-UHFFFAOYSA-N
• XLogP: 25.69
• TPSA: 397.70 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2625.33
LogP ≤ 5	25.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

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-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one)?

The IUPAC name of 1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one) (CID 161046173) is 1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one).

What is the SMILES notation for 1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one)?

The canonical SMILES for 1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one) is CC(=O)Cc1cccc(Cc2ncnc(N3CC(Oc4ccc(C)cc4)C3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CC=C(c4cccc(C)c4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(C)cc4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(C)cc4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(c4nc(-c5ccccc5)cs4)CC3)n2)c1F.CC(=O)Cc1cccc(Cc2ncnc(N3CCN(c4ccc(C)c(C)c4)CC3)n2)c1F.

What is the InChIKey of 1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one)?

The InChIKey is UBNJCBGFIKWKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5OS.2C27H32N4O2.C26H28N4O.C25H28FN5O.C24H26N4O2/c1-18(34)14-21-8-5-9-22(25(21)28)15-24-29-17-30-27(32-24)33-12-10-20(11-13-33)26-31-23(16-35-26)19-6-3-2-4-7-19;2*1-19-7-9-22(10-8-19)17-33-25-11-13-31(14-12-25)27-29-18-28-26(30-27)16-24-6-4-5-23(21(24)3)15-20(2)32;1-18-6-4-9-24(14-18)21-10-12-30(13-11-21)26-28-17-27-25(29-26)16-23-8-5-7-22(20(23)3)15-19(2)31;1-17-7-8-22(13-18(17)2)30-9-11-31(12-10-30)25-28-16-27-23(29-25)15-21-6-4-5-20(24(21)26)14-19(3)32;1-16-7-9-21(10-8-16)30-22-13-28(14-22)24-26-15-25-23(27-24)12-20-6-4-5-19(18(20)3)11-17(2)29/h2-9,16-17,20H,10-15H2,1H3;2*4-10,18,25H,11-17H2,1-3H3;4-10,14,17H,11-13,15-16H2,1-3H3;4-8,13,16H,9-12,14-15H2,1-3H3;4-10,15,22H,11-14H2,1-3H3.

What are the key properties of 1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one)?

1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one) has a molecular weight of 2625.33 g/mol, XLogP of 25.69, 42 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[3-(4-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;bis(1-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one) is sourced from PubChem (CID 161046173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).