4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)

C131H199F12N13O6S2 — CID 158389532

About 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)

4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine) (PubChem CID 158389532) has the molecular formula C131H199F12N13O6S2 and a molecular weight of 2344.23 g/mol. Its IUPAC name is 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)
• PubChem CID: 158389532
• Molecular Formula: C131H199F12N13O6S2
• Molecular Weight: 2344.23 g/mol
• Exact Mass: 2342.49
• IUPAC Name: 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)
• SMILES: CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cccc(OCCCCC(N)=O)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1ccnc(CC2CCN(S(C)(=O)=O)CC2)c1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)CC1
• InChI: InChI=1S/C18H26F3N.C17H25F3N2.C17H27NO2S.2C16H23F3N2.C16H26N2O2S.C16H26N2.C15H23NO2/c1-17(2,3)16-6-4-5-15(12-16)11-14-7-9-22(10-8-14)13-18(19,20)21;1-16(2,3)14-4-7-21-15(11-14)10-13-5-8-22(9-6-13)12-17(18,19)20;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(11-9-14)21(4,19)20;2*1-15(2,3)13-4-6-20-14(9-13)8-12-5-7-21(10-12)11-16(17,18)19;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(10-7-13)21(4,19)20;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(4)10-7-13;1-15(2,3)12-7-6-8-13(11-12)18-10-5-4-9-14(16)17/h4-6,12,14H,7-11,13H2,1-3H3;4,7,11,13H,5-6,8-10,12H2,1-3H3;5-7,13-14H,8-12H2,1-4H3;2*4,6,9,12H,5,7-8,10-11H2,1-3H3;5,8,12-13H,6-7,9-11H2,1-4H3;5,8,12-13H,6-7,9-11H2,1-4H3;6-8,11H,4-5,9-10H2,1-3H3,(H2,16,17)
• InChIKey: GWTXRIRVFJLJSX-UHFFFAOYSA-N
• XLogP: 28.68
• TPSA: 207.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2344.23
LogP ≤ 5	28.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)?

The IUPAC name of 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine) (CID 158389532) is 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine).

What is the SMILES notation for 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)?

The canonical SMILES for 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine) is CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cccc(OCCCCC(N)=O)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1ccnc(CC2CCN(S(C)(=O)=O)CC2)c1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)CC1.

What is the InChIKey of 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)?

The InChIKey is GWTXRIRVFJLJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N.C17H25F3N2.C17H27NO2S.2C16H23F3N2.C16H26N2O2S.C16H26N2.C15H23NO2/c1-17(2,3)16-6-4-5-15(12-16)11-14-7-9-22(10-8-14)13-18(19,20)21;1-16(2,3)14-4-7-21-15(11-14)10-13-5-8-22(9-6-13)12-17(18,19)20;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(11-9-14)21(4,19)20;2*1-15(2,3)13-4-6-20-14(9-13)8-12-5-7-21(10-12)11-16(17,18)19;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(10-7-13)21(4,19)20;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(4)10-7-13;1-15(2,3)12-7-6-8-13(11-12)18-10-5-4-9-14(16)17/h4-6,12,14H,7-11,13H2,1-3H3;4,7,11,13H,5-6,8-10,12H2,1-3H3;5-7,13-14H,8-12H2,1-4H3;2*4,6,9,12H,5,7-8,10-11H2,1-3H3;5,8,12-13H,6-7,9-11H2,1-4H3;5,8,12-13H,6-7,9-11H2,1-4H3;6-8,11H,4-5,9-10H2,1-3H3,(H2,16,17).

What are the key properties of 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)?

4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine) has a molecular weight of 2344.23 g/mol, XLogP of 28.68, 26 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine) is sourced from PubChem (CID 158389532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).