4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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)

C127H194F9N15O7S2 — CID 159281873

About 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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 159281873) has the molecular formula C127H194F9N15O7S2 and a molecular weight of 2278.16 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;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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: 159281873
• Molecular Formula: C127H194F9N15O7S2
• Molecular Weight: 2278.16 g/mol
• Exact Mass: 2276.46
• IUPAC Name: 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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(=O)N1CCC(Cc2cc(C(C)(C)C)ccn2)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)C2)c1.CC(C)(C)c1ccnc(CC2CCN(S(C)(=O)=O)CC2)c1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)CC1
• InChI: InChI=1S/C17H25F3N2.2C16H23F3N2.C16H26N2O2S.C16H24N2O.C16H26N2.C15H24N2O2S.C15H23NO2/c1-16(2,3)14-4-7-21-15(11-14)10-13-5-8-22(9-6-13)12-17(18,19)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;1-12(19)18-8-6-13(11-18)9-15-10-14(5-7-17-15)16(2,3)4;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(4)10-7-13;1-15(2,3)13-5-7-16-14(10-13)9-12-6-8-17(11-12)20(4,18)19;1-15(2,3)12-7-6-8-13(11-12)18-10-5-4-9-14(16)17/h4,7,11,13H,5-6,8-10,12H2,1-3H3;2*4,6,9,12H,5,7-8,10-11H2,1-3H3;5,8,12-13H,6-7,9-11H2,1-4H3;5,7,10,13H,6,8-9,11H2,1-4H3;5,8,12-13H,6-7,9-11H2,1-4H3;5,7,10,12H,6,8-9,11H2,1-4H3;6-8,11H,4-5,9-10H2,1-3H3,(H2,16,17)
• InChIKey: KZAAIFXZRFGYFY-UHFFFAOYSA-N
• XLogP: 25.68
• TPSA: 250.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.16
LogP ≤ 5	25.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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 159281873) is 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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(=O)N1CCC(Cc2cc(C(C)(C)C)ccn2)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)C2)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;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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 KZAAIFXZRFGYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2.2C16H23F3N2.C16H26N2O2S.C16H24N2O.C16H26N2.C15H24N2O2S.C15H23NO2/c1-16(2,3)14-4-7-21-15(11-14)10-13-5-8-22(9-6-13)12-17(18,19)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;1-12(19)18-8-6-13(11-18)9-15-10-14(5-7-17-15)16(2,3)4;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(4)10-7-13;1-15(2,3)13-5-7-16-14(10-13)9-12-6-8-17(11-12)20(4,18)19;1-15(2,3)12-7-6-8-13(11-12)18-10-5-4-9-14(16)17/h4,7,11,13H,5-6,8-10,12H2,1-3H3;2*4,6,9,12H,5,7-8,10-11H2,1-3H3;5,8,12-13H,6-7,9-11H2,1-4H3;5,7,10,13H,6,8-9,11H2,1-4H3;5,8,12-13H,6-7,9-11H2,1-4H3;5,7,10,12H,6,8-9,11H2,1-4H3;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;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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 2278.16 g/mol, XLogP of 25.68, 25 rotatable bonds, 1 hydrogen bond donors, and 18 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;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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 159281873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).