[3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine

C79H114F12N6O9 — CID 158809035

About [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine

[3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine (PubChem CID 158809035) has the molecular formula C79H114F12N6O9 and a molecular weight of 1519.79 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine.

Molecular Properties

• Compound Name: [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine
• PubChem CID: 158809035
• Molecular Formula: C79H114F12N6O9
• Molecular Weight: 1519.79 g/mol
• Exact Mass: 1518.85
• IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine
• SMILES: CC(C)(C)OC(=O)N1C=CC(=O)CC1CC1CCCCC1.CC[C@@H]1CC(=O)C[C@H](CC2CCCCC2)N1C(=O)OC(C)(C)C.CC[C@@H]1C[C@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](CC2CCCCC2)N1C(=O)OC(C)(C)C.COc1ccncc1.NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C28H40F6N2O2.C19H33NO3.C17H27NO3.C9H7F6N.C6H7NO/c1-5-23-15-22(35-17-19-11-20(27(29,30)31)14-21(12-19)28(32,33)34)16-24(13-18-9-7-6-8-10-18)36(23)25(37)38-26(2,3)4;1-5-15-12-17(21)13-16(11-14-9-7-6-8-10-14)20(15)18(22)23-19(2,3)4;1-17(2,3)21-16(20)18-10-9-15(19)12-14(18)11-13-7-5-4-6-8-13;10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15;1-8-6-2-4-7-5-3-6/h11-12,14,18,22-24,35H,5-10,13,15-17H2,1-4H3;14-16H,5-13H2,1-4H3;9-10,13-14H,4-8,11-12H2,1-3H3;1-3H,4,16H2;2-5H,1H3/t22-,23+,24-;15-,16+;;;/m01.../s1
• InChIKey: IULDZCBDARXDBD-HSSOAMMSSA-N
• XLogP: 21.36
• TPSA: 182.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1519.79
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine?

The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine (CID 158809035) is [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine.

What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine?

The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine is CC(C)(C)OC(=O)N1C=CC(=O)CC1CC1CCCCC1.CC[C@@H]1CC(=O)C[C@H](CC2CCCCC2)N1C(=O)OC(C)(C)C.CC[C@@H]1C[C@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](CC2CCCCC2)N1C(=O)OC(C)(C)C.COc1ccncc1.NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine?

The InChIKey is IULDZCBDARXDBD-HSSOAMMSSA-N. The full InChI is InChI=1S/C28H40F6N2O2.C19H33NO3.C17H27NO3.C9H7F6N.C6H7NO/c1-5-23-15-22(35-17-19-11-20(27(29,30)31)14-21(12-19)28(32,33)34)16-24(13-18-9-7-6-8-10-18)36(23)25(37)38-26(2,3)4;1-5-15-12-17(21)13-16(11-14-9-7-6-8-10-14)20(15)18(22)23-19(2,3)4;1-17(2,3)21-16(20)18-10-9-15(19)12-14(18)11-13-7-5-4-6-8-13;10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15;1-8-6-2-4-7-5-3-6/h11-12,14,18,22-24,35H,5-10,13,15-17H2,1-4H3;14-16H,5-13H2,1-4H3;9-10,13-14H,4-8,11-12H2,1-3H3;1-3H,4,16H2;2-5H,1H3/t22-,23+,24-;15-,16+;;;/m01.../s1.

What are the key properties of [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine?

[3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine has a molecular weight of 1519.79 g/mol, XLogP of 21.36, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-bis(trifluoromethyl)phenyl]methanamine;tert-butyl (2S,4S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(cyclohexylmethyl)-6-ethylpiperidine-1-carboxylate;tert-butyl (2S,6R)-2-(cyclohexylmethyl)-6-ethyl-4-oxopiperidine-1-carboxylate;tert-butyl 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;4-methoxypyridine is sourced from PubChem (CID 158809035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).