[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine

C118H122F29N21O8S2 — CID 159253707

About [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine

[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine (PubChem CID 159253707) has the molecular formula C118H122F29N21O8S2 and a molecular weight of 2577.49 g/mol. Its IUPAC name is [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine.

Molecular Properties

• Compound Name: [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine
• PubChem CID: 159253707
• Molecular Formula: C118H122F29N21O8S2
• Molecular Weight: 2577.49 g/mol
• Exact Mass: 2575.88
• IUPAC Name: [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine
• SMILES: N[C@H](Cc1cc(F)c(F)cc1F)C1C(F)CN(C(=O)c2ncccc2C(F)(F)F)CC1F.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)Nc2ccccn2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cnc(C3CC3)nc2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(S(=O)(=O)c2cncnc2)CC1
• InChI: InChI=1S/C21H21F6N3O.C21H23F3N4O.C20H17F8N3O.C20H21F6N3O2S.C19H21F3N4O.C17H19F3N4O2S/c22-15-11-17(24)16(23)8-13(15)9-18(28)12-4-6-30(7-5-12)20(31)10-14-2-1-3-19(29-14)21(25,26)27;22-16-9-18(24)17(23)7-14(16)8-19(25)12-3-5-28(6-4-12)21(29)15-10-26-20(27-11-15)13-1-2-13;21-11-6-13(23)12(22)4-9(11)5-16(29)17-14(24)7-31(8-15(17)25)19(32)18-10(20(26,27)28)2-1-3-30-18;21-15-10-17(23)16(22)8-13(15)9-18(27)12-4-6-29(7-5-12)32(30,31)11-14-2-1-3-19(28-14)20(24,25)26;20-14-11-16(22)15(21)9-13(14)10-17(23)12-4-7-26(8-5-12)19(27)25-18-3-1-2-6-24-18;18-14-7-16(20)15(19)5-12(14)6-17(21)11-1-3-24(4-2-11)27(25,26)13-8-22-10-23-9-13/h1-3,8,11-12,18H,4-7,9-10,28H2;7,9-13,19H,1-6,8,25H2;1-4,6,14-17H,5,7-8,29H2;1-3,8,10,12,18H,4-7,9,11,27H2;1-3,6,9,11-12,17H,4-5,7-8,10,23H2,(H,24,25,27);5,7-11,17H,1-4,6,21H2/t18-;19-;14?,15?,16-,17?;18-;2*17-/m111111/s1
• InChIKey: KVPVNNYXBIYSMP-JJLCBPHJSA-N
• XLogP: 19.71
• TPSA: 427.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2577.49
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine?

The IUPAC name of [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine (CID 159253707) is [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine.

What is the SMILES notation for [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine?

The canonical SMILES for [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine is N[C@H](Cc1cc(F)c(F)cc1F)C1C(F)CN(C(=O)c2ncccc2C(F)(F)F)CC1F.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)Nc2ccccn2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cnc(C3CC3)nc2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(S(=O)(=O)c2cncnc2)CC1.

What is the InChIKey of [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine?

The InChIKey is KVPVNNYXBIYSMP-JJLCBPHJSA-N. The full InChI is InChI=1S/C21H21F6N3O.C21H23F3N4O.C20H17F8N3O.C20H21F6N3O2S.C19H21F3N4O.C17H19F3N4O2S/c22-15-11-17(24)16(23)8-13(15)9-18(28)12-4-6-30(7-5-12)20(31)10-14-2-1-3-19(29-14)21(25,26)27;22-16-9-18(24)17(23)7-14(16)8-19(25)12-3-5-28(6-4-12)21(29)15-10-26-20(27-11-15)13-1-2-13;21-11-6-13(23)12(22)4-9(11)5-16(29)17-14(24)7-31(8-15(17)25)19(32)18-10(20(26,27)28)2-1-3-30-18;21-15-10-17(23)16(22)8-13(15)9-18(27)12-4-6-29(7-5-12)32(30,31)11-14-2-1-3-19(28-14)20(24,25)26;20-14-11-16(22)15(21)9-13(14)10-17(23)12-4-7-26(8-5-12)19(27)25-18-3-1-2-6-24-18;18-14-7-16(20)15(19)5-12(14)6-17(21)11-1-3-24(4-2-11)27(25,26)13-8-22-10-23-9-13/h1-3,8,11-12,18H,4-7,9-10,28H2;7,9-13,19H,1-6,8,25H2;1-4,6,14-17H,5,7-8,29H2;1-3,8,10,12,18H,4-7,9,11,27H2;1-3,6,9,11-12,17H,4-5,7-8,10,23H2,(H,24,25,27);5,7-11,17H,1-4,6,21H2/t18-;19-;14?,15?,16-,17?;18-;2*17-/m111111/s1.

What are the key properties of [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine?

[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine has a molecular weight of 2577.49 g/mol, XLogP of 19.71, 29 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 159253707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).