4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine

C128H164Cl12F8N8O — CID 158191940

About 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine

4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine (PubChem CID 158191940) has the molecular formula C128H164Cl12F8N8O and a molecular weight of 2408.19 g/mol. Its IUPAC name is 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine
• PubChem CID: 158191940
• Molecular Formula: C128H164Cl12F8N8O
• Molecular Weight: 2408.19 g/mol
• Exact Mass: 2400.92
• IUPAC Name: 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine
• SMILES: CC(C)(C)C1CCN([C@@H](c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)(C)C1CCN([C@H](c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)C1(C)CN([C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)C1.CC(C)C1(C)CN([C@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)C1.CC(C)C1CCN([C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)CC1.CC(C)Oc1ncc(CN2CCC(F)(C(C)C)CC2)cc1Cl.Cc1ccc(Cl)c(CN2CCC(F)(C(C)C)CC2)c1
• InChI: InChI=1S/C21H25Cl2N.2C20H23Cl2N.2C17H22Cl2F3N.C17H26ClFN2O.C16H23ClFN/c1-15(2)16-8-10-24(11-9-16)21(17-6-4-3-5-7-17)18-12-19(22)14-20(23)13-18;2*1-14(2)20(3)12-23(13-20)19(15-7-5-4-6-8-15)16-9-17(21)11-18(22)10-16;2*1-16(2,3)12-4-6-23(7-5-12)15(17(20,21)22)11-8-13(18)10-14(19)9-11;1-12(2)17(19)5-7-21(8-6-17)11-14-9-15(18)16(20-10-14)22-13(3)4;1-12(2)16(18)6-8-19(9-7-16)11-14-10-13(3)4-5-15(14)17/h3-7,12-16,21H,8-11H2,1-2H3;2*4-11,14,19H,12-13H2,1-3H3;2*8-10,12,15H,4-7H2,1-3H3;9-10,12-13H,5-8,11H2,1-4H3;4-5,10,12H,6-9,11H2,1-3H3/t21-;2*19-;2*15-;;/m01010../s1
• InChIKey: FZWDWPFAEXDXAY-RABUCUOPSA-N
• XLogP: 40.37
• TPSA: 44.80 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2408.19
LogP ≤ 5	40.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine?

The IUPAC name of 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine (CID 158191940) is 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine.

What is the SMILES notation for 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine?

The canonical SMILES for 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine is CC(C)(C)C1CCN([C@@H](c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)(C)C1CCN([C@H](c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)C1(C)CN([C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)C1.CC(C)C1(C)CN([C@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)C1.CC(C)C1CCN([C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)CC1.CC(C)Oc1ncc(CN2CCC(F)(C(C)C)CC2)cc1Cl.Cc1ccc(Cl)c(CN2CCC(F)(C(C)C)CC2)c1.

What is the InChIKey of 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine?

The InChIKey is FZWDWPFAEXDXAY-RABUCUOPSA-N. The full InChI is InChI=1S/C21H25Cl2N.2C20H23Cl2N.2C17H22Cl2F3N.C17H26ClFN2O.C16H23ClFN/c1-15(2)16-8-10-24(11-9-16)21(17-6-4-3-5-7-17)18-12-19(22)14-20(23)13-18;2*1-14(2)20(3)12-23(13-20)19(15-7-5-4-6-8-15)16-9-17(21)11-18(22)10-16;2*1-16(2,3)12-4-6-23(7-5-12)15(17(20,21)22)11-8-13(18)10-14(19)9-11;1-12(2)17(19)5-7-21(8-6-17)11-14-9-15(18)16(20-10-14)22-13(3)4;1-12(2)16(18)6-8-19(9-7-16)11-14-10-13(3)4-5-15(14)17/h3-7,12-16,21H,8-11H2,1-2H3;2*4-11,14,19H,12-13H2,1-3H3;2*8-10,12,15H,4-7H2,1-3H3;9-10,12-13H,5-8,11H2,1-4H3;4-5,10,12H,6-9,11H2,1-3H3/t21-;2*19-;2*15-;;/m01010../s1.

What are the key properties of 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine?

4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine has a molecular weight of 2408.19 g/mol, XLogP of 40.37, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 158191940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).