[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid

C121H128F28N20O16 — CID 160977031

About [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid

[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid (PubChem CID 160977031) has the molecular formula C121H128F28N20O16 and a molecular weight of 2650.42 g/mol. Its IUPAC name is [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid.

Molecular Properties

• Compound Name: [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid
• PubChem CID: 160977031
• Molecular Formula: C121H128F28N20O16
• Molecular Weight: 2650.42 g/mol
• Exact Mass: 2648.94
• IUPAC Name: [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid
• SMILES: NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2ccn(C(F)F)n2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2ncc(F)cc2F)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1.N[C@H](Cc1cc(F)ccc1F)C1CCN(C(=O)c2nccc(C(F)(F)F)n2)CC1.O=CO.O=CO.O=CO.O=CO.O=CO
• InChI: InChI=1S/3C20H20F5N3O.C19H19F5N4O.C19H19F4N3O.C18H20F4N4O.5CH2O2/c21-15-1-2-16(22)13(9-15)10-17(26)12-4-7-28(8-5-12)19(29)18-11-14(3-6-27-18)20(23,24)25;21-14-3-4-16(22)13(10-14)11-17(26)12-5-8-28(9-6-12)19(29)18-15(20(23,24)25)2-1-7-27-18;21-14-4-5-15(22)13(10-14)11-16(26)12-6-8-28(9-7-12)19(29)17-2-1-3-18(27-17)20(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;20-13-1-2-15(22)12(7-13)8-17(24)11-3-5-26(6-4-11)19(27)18-16(23)9-14(21)10-25-18;19-13-1-2-14(20)12(9-13)10-15(23)11-3-6-25(7-4-11)17(27)16-5-8-26(24-16)18(21)22;5*2-1-3/h1-3,6,9,11-12,17H,4-5,7-8,10,26H2;1-4,7,10,12,17H,5-6,8-9,11,26H2;1-5,10,12,16H,6-9,11,26H2;1-3,6,9,11,15H,4-5,7-8,10,25H2;1-2,7,9-11,17H,3-6,8,24H2;1-2,5,8-9,11,15,18H,3-4,6-7,10,23H2;5*1H,(H,2,3)/t;;;15-;;;;;;;/m...1......./s1
• InChIKey: SYZUDMVUYIKJTC-HQQUIJPWSA-N
• XLogP: 19.14
• TPSA: 559.64 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2650.42
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid?

The IUPAC name of [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid (CID 160977031) is [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid.

What is the SMILES notation for [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid?

The canonical SMILES for [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid is NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2ccn(C(F)F)n2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2ncc(F)cc2F)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1.N[C@H](Cc1cc(F)ccc1F)C1CCN(C(=O)c2nccc(C(F)(F)F)n2)CC1.O=CO.O=CO.O=CO.O=CO.O=CO.

What is the InChIKey of [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid?

The InChIKey is SYZUDMVUYIKJTC-HQQUIJPWSA-N. The full InChI is InChI=1S/3C20H20F5N3O.C19H19F5N4O.C19H19F4N3O.C18H20F4N4O.5CH2O2/c21-15-1-2-16(22)13(9-15)10-17(26)12-4-7-28(8-5-12)19(29)18-11-14(3-6-27-18)20(23,24)25;21-14-3-4-16(22)13(10-14)11-17(26)12-5-8-28(9-6-12)19(29)18-15(20(23,24)25)2-1-7-27-18;21-14-4-5-15(22)13(10-14)11-16(26)12-6-8-28(9-7-12)19(29)17-2-1-3-18(27-17)20(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;20-13-1-2-15(22)12(7-13)8-17(24)11-3-5-26(6-4-11)19(27)18-16(23)9-14(21)10-25-18;19-13-1-2-14(20)12(9-13)10-15(23)11-3-6-25(7-4-11)17(27)16-5-8-26(24-16)18(21)22;5*2-1-3/h1-3,6,9,11-12,17H,4-5,7-8,10,26H2;1-4,7,10,12,17H,5-6,8-9,11,26H2;1-5,10,12,16H,6-9,11,26H2;1-3,6,9,11,15H,4-5,7-8,10,25H2;1-2,7,9-11,17H,3-6,8,24H2;1-2,5,8-9,11,15,18H,3-4,6-7,10,23H2;5*1H,(H,2,3)/t;;;15-;;;;;;;/m...1......./s1.

What are the key properties of [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid?

[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid has a molecular weight of 2650.42 g/mol, XLogP of 19.14, 25 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;formic acid is sourced from PubChem (CID 160977031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).