4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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)

C142H217F9N16O8S2 — CID 157475844

About 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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 157475844) has the molecular formula C142H217F9N16O8S2 and a molecular weight of 2511.52 g/mol. Its IUPAC name is 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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: 157475844
• Molecular Formula: C142H217F9N16O8S2
• Molecular Weight: 2511.52 g/mol
• Exact Mass: 2509.64
• IUPAC Name: 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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(CC2CCC(S(C)(=O)=O)CC2)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(OC2CCNCC2)c1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)CC1
• InChI: InChI=1S/C17H25F3N2.C17H27NO2S.2C16H23F3N2.C16H24N2O.C16H26N2.C15H24N2O2S.C15H23NO2.C14H22N2O/c1-16(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)14-9-10-18-15(12-14)11-13-5-7-16(8-6-13)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;1-12(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;1-14(2,3)11-4-9-16-13(10-11)17-12-5-7-15-8-6-12/h4,7,11,13H,5-6,8-10,12H2,1-3H3;9-10,12-13,16H,5-8,11H2,1-4H3;2*4,6,9,12H,5,7-8,10-11H2,1-3H3;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);4,9-10,12,15H,5-8H2,1-3H3
• InChIKey: BVOUSHVBBFVPEI-UHFFFAOYSA-N
• XLogP: 29.12
• TPSA: 281.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2511.52
LogP ≤ 5	29.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

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-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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 157475844) is 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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(CC2CCC(S(C)(=O)=O)CC2)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(OC2CCNCC2)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-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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 BVOUSHVBBFVPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2.C17H27NO2S.2C16H23F3N2.C16H24N2O.C16H26N2.C15H24N2O2S.C15H23NO2.C14H22N2O/c1-16(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)14-9-10-18-15(12-14)11-13-5-7-16(8-6-13)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;1-12(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;1-14(2,3)11-4-9-16-13(10-11)17-12-5-7-15-8-6-12/h4,7,11,13H,5-6,8-10,12H2,1-3H3;9-10,12-13,16H,5-8,11H2,1-4H3;2*4,6,9,12H,5,7-8,10-11H2,1-3H3;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);4,9-10,12,15H,5-8H2,1-3H3.

What are the key properties of 4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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 2511.52 g/mol, XLogP of 29.12, 27 rotatable bonds, 2 hydrogen bond donors, and 21 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-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;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 157475844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).