(2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine

C163H262F8N20O3 — CID 161430096

About (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine

(2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine (PubChem CID 161430096) has the molecular formula C163H262F8N20O3 and a molecular weight of 2702.01 g/mol. Its IUPAC name is (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine.

Molecular Properties

• Compound Name: (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine
• PubChem CID: 161430096
• Molecular Formula: C163H262F8N20O3
• Molecular Weight: 2702.01 g/mol
• Exact Mass: 2700.08
• IUPAC Name: (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine
• SMILES: CC(C)(C)N1CCC(F)(F)C[C@@H]1c1ccc(F)cc1.CC(C)(C)N1CCC(F)(F)C[C@H]1c1ccc(F)cc1.CC(C)(O)[C@@H]1CCN(C(C)(C)C)[C@H](c2ccc(F)cc2)C1.CC(C)(O)[C@H]1CCN(C(C)(C)C)[C@@H](c2ccc(F)cc2)C1.CC(C)[C@@H]1CCN(C(C)C)[C@H](c2ccccc2)C1.CC(C)[C@H]1CCN(C(C)(C)C)[C@@H](c2ccccc2)C1.C[C@@H]1CCN(C(C)(C)C)[C@H](c2ccn[nH]2)C1.C[C@H]1CCN(C(C)(C)C)[C@@H](c2ccn[nH]2)C1.C[C@H]1CCN(C(C)(C)C)[C@@H](c2ccnn2C)C1.Cc1noc(C2CCN(C(C)(C)C)CC2)n1.[C-]#[N+]C1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/2C18H28FNO.C18H29N.C17H27N.2C15H20F3N.C14H25N3.2C13H23N3.C12H21N3O.C10H18N2/c2*1-17(2,3)20-11-10-14(18(4,5)21)12-16(20)13-6-8-15(19)9-7-13;1-14(2)16-11-12-19(18(3,4)5)17(13-16)15-9-7-6-8-10-15;1-13(2)16-10-11-18(14(3)4)17(12-16)15-8-6-5-7-9-15;2*1-14(2,3)19-9-8-15(17,18)10-13(19)11-4-6-12(16)7-5-11;1-11-7-9-17(14(2,3)4)13(10-11)12-6-8-15-16(12)5;2*1-10-6-8-16(13(2,3)4)12(9-10)11-5-7-14-15-11;1-9-13-11(16-14-9)10-5-7-15(8-6-10)12(2,3)4;1-10(2,3)12-7-5-9(11-4)6-8-12/h2*6-9,14,16,21H,10-12H2,1-5H3;6-10,14,16-17H,11-13H2,1-5H3;5-9,13-14,16-17H,10-12H2,1-4H3;2*4-7,13H,8-10H2,1-3H3;6,8,11,13H,7,9-10H2,1-5H3;2*5,7,10,12H,6,8-9H2,1-4H3,(H,14,15);10H,5-8H2,1-4H3;9H,5-8H2,1-3H3/t2*14-,16+;2*16-,17+;2*13-;11-,13+;2*10-,12+;;/m100110010../s1
• InChIKey: VXWWPDBUVKNHFK-MNYKQCRWSA-N
• XLogP: 39.97
• TPSA: 194.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2702.01
LogP ≤ 5	39.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine?

The IUPAC name of (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine (CID 161430096) is (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine.

What is the SMILES notation for (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine?

The canonical SMILES for (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine is CC(C)(C)N1CCC(F)(F)C[C@@H]1c1ccc(F)cc1.CC(C)(C)N1CCC(F)(F)C[C@H]1c1ccc(F)cc1.CC(C)(O)[C@@H]1CCN(C(C)(C)C)[C@H](c2ccc(F)cc2)C1.CC(C)(O)[C@H]1CCN(C(C)(C)C)[C@@H](c2ccc(F)cc2)C1.CC(C)[C@@H]1CCN(C(C)C)[C@H](c2ccccc2)C1.CC(C)[C@H]1CCN(C(C)(C)C)[C@@H](c2ccccc2)C1.C[C@@H]1CCN(C(C)(C)C)[C@H](c2ccn[nH]2)C1.C[C@H]1CCN(C(C)(C)C)[C@@H](c2ccn[nH]2)C1.C[C@H]1CCN(C(C)(C)C)[C@@H](c2ccnn2C)C1.Cc1noc(C2CCN(C(C)(C)C)CC2)n1.[C-]#[N+]C1CCN(C(C)(C)C)CC1.

What is the InChIKey of (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine?

The InChIKey is VXWWPDBUVKNHFK-MNYKQCRWSA-N. The full InChI is InChI=1S/2C18H28FNO.C18H29N.C17H27N.2C15H20F3N.C14H25N3.2C13H23N3.C12H21N3O.C10H18N2/c2*1-17(2,3)20-11-10-14(18(4,5)21)12-16(20)13-6-8-15(19)9-7-13;1-14(2)16-11-12-19(18(3,4)5)17(13-16)15-9-7-6-8-10-15;1-13(2)16-10-11-18(14(3)4)17(12-16)15-8-6-5-7-9-15;2*1-14(2,3)19-9-8-15(17,18)10-13(19)11-4-6-12(16)7-5-11;1-11-7-9-17(14(2,3)4)13(10-11)12-6-8-15-16(12)5;2*1-10-6-8-16(13(2,3)4)12(9-10)11-5-7-14-15-11;1-9-13-11(16-14-9)10-5-7-15(8-6-10)12(2,3)4;1-10(2,3)12-7-5-9(11-4)6-8-12/h2*6-9,14,16,21H,10-12H2,1-5H3;6-10,14,16-17H,11-13H2,1-5H3;5-9,13-14,16-17H,10-12H2,1-4H3;2*4-7,13H,8-10H2,1-3H3;6,8,11,13H,7,9-10H2,1-5H3;2*5,7,10,12H,6,8-9H2,1-4H3,(H,14,15);10H,5-8H2,1-4H3;9H,5-8H2,1-3H3/t2*14-,16+;2*16-,17+;2*13-;11-,13+;2*10-,12+;;/m100110010../s1.

What are the key properties of (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine?

(2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine has a molecular weight of 2702.01 g/mol, XLogP of 39.97, 15 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;(2S)-1-tert-butyl-4,4-difluoro-2-(4-fluorophenyl)piperidine;2-[(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;2-[(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)piperidin-4-yl]propan-2-ol;1-tert-butyl-4-isocyanopiperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(2-methylpyrazol-3-yl)piperidine;(2R,4S)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2S,4R)-1-tert-butyl-4-methyl-2-(1H-pyrazol-5-yl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-propan-2-ylpiperidine;5-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole;(2S,4R)-2-phenyl-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 161430096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).