[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid

C113H119F29N22O9 — CID 157124386

About [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid

[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid (PubChem CID 157124386) has the molecular formula C113H119F29N22O9 and a molecular weight of 2480.28 g/mol. Its IUPAC name is [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid.

Molecular Properties

• Compound Name: [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid
• PubChem CID: 157124386
• Molecular Formula: C113H119F29N22O9
• Molecular Weight: 2480.28 g/mol
• Exact Mass: 2478.91
• IUPAC Name: [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid
• SMILES: CC(C)(C)OC(=O)N1CCC(C(N)Cc2cc(F)c(F)cc2F)CC1.NC(Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.NC(Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2nccc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ncccn2)CC1.O=CO
• InChI: InChI=1S/3C19H18F6N4O.C19H19F5N4O.C18H19F3N4O.C18H25F3N2O2.CH2O2/c3*20-12-9-14(22)13(21)7-11(12)8-15(26)10-2-5-29(6-3-10)17(30)16-1-4-27-18(28-16)19(23,24)25;20-13-1-2-14(21)12(9-13)10-15(25)11-4-7-28(8-5-11)18(29)17-26-6-3-16(27-17)19(22,23)24;19-13-10-15(21)14(20)8-12(13)9-16(22)11-2-6-25(7-3-11)18(26)17-23-4-1-5-24-17;1-18(2,3)25-17(24)23-6-4-11(5-7-23)16(22)9-12-8-14(20)15(21)10-13(12)19;2-1-3/h3*1,4,7,9-10,15H,2-3,5-6,8,26H2;1-3,6,9,11,15H,4-5,7-8,10,25H2;1,4-5,8,10-11,16H,2-3,6-7,9,22H2;8,10-11,16H,4-7,9,22H2,1-3H3;1H,(H,2,3)/t15-;;;;16-;;/m1...1../s1
• InChIKey: AIIQSUGDLHQZBO-DJFWAFNXSA-N
• XLogP: 18.84
• TPSA: 453.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2480.28
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid?

The IUPAC name of [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid (CID 157124386) is [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid.

What is the SMILES notation for [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid?

The canonical SMILES for [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid is CC(C)(C)OC(=O)N1CCC(C(N)Cc2cc(F)c(F)cc2F)CC1.NC(Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.NC(Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2nccc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ncccn2)CC1.O=CO.

What is the InChIKey of [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid?

The InChIKey is AIIQSUGDLHQZBO-DJFWAFNXSA-N. The full InChI is InChI=1S/3C19H18F6N4O.C19H19F5N4O.C18H19F3N4O.C18H25F3N2O2.CH2O2/c3*20-12-9-14(22)13(21)7-11(12)8-15(26)10-2-5-29(6-3-10)17(30)16-1-4-27-18(28-16)19(23,24)25;20-13-1-2-14(21)12(9-13)10-15(25)11-4-7-28(8-5-11)18(29)17-26-6-3-16(27-17)19(22,23)24;19-13-10-15(21)14(20)8-12(13)9-16(22)11-2-6-25(7-3-11)18(26)17-23-4-1-5-24-17;1-18(2,3)25-17(24)23-6-4-11(5-7-23)16(22)9-12-8-14(20)15(21)10-13(12)19;2-1-3/h3*1,4,7,9-10,15H,2-3,5-6,8,26H2;1-3,6,9,11,15H,4-5,7-8,10,25H2;1,4-5,8,10-11,16H,2-3,6-7,9,22H2;8,10-11,16H,4-7,9,22H2,1-3H3;1H,(H,2,3)/t15-;;;;16-;;/m1...1../s1.

What are the key properties of [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid?

[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid has a molecular weight of 2480.28 g/mol, XLogP of 18.84, 23 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid is sourced from PubChem (CID 157124386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).