4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)

C121H185F6N15O9S2 — CID 158838842

About 4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)

4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine) (PubChem CID 158838842) has the molecular formula C121H185F6N15O9S2 and a molecular weight of 2172.03 g/mol. Its IUPAC name is 4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)
• PubChem CID: 158838842
• Molecular Formula: C121H185F6N15O9S2
• Molecular Weight: 2172.03 g/mol
• Exact Mass: 2170.38
• IUPAC Name: 4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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)c1cc(CC2CCOC2)ncn1.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(S(C)(=O)=O)C2)c1.CC(C)(C)c1ccnc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1ccnc(OC2CCNCC2)c1
• InChI: InChI=1S/2C16H23F3N2.C16H26N2O2S.C16H24N2O.C15H24N2O2S.C15H23NO2.C14H22N2O.C13H20N2O/c2*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;1-15(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;1-13(2,3)12-7-11(14-9-15-12)6-10-4-5-16-8-10/h2*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;5,7,10,12H,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;7,9-10H,4-6,8H2,1-3H3
• InChIKey: IXZAZAYYJIMXNP-UHFFFAOYSA-N
• XLogP: 23.08
• TPSA: 287.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2172.03
LogP ≤ 5	23.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)?

The IUPAC name of 4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine) (CID 158838842) is 4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)?

The canonical SMILES for 4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;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)c1cc(CC2CCOC2)ncn1.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(S(C)(=O)=O)C2)c1.CC(C)(C)c1ccnc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1ccnc(OC2CCNCC2)c1.

What is the InChIKey of 4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)?

The InChIKey is IXZAZAYYJIMXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H23F3N2.C16H26N2O2S.C16H24N2O.C15H24N2O2S.C15H23NO2.C14H22N2O.C13H20N2O/c2*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;1-15(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;1-13(2,3)12-7-11(14-9-15-12)6-10-4-5-16-8-10/h2*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;5,7,10,12H,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;7,9-10H,4-6,8H2,1-3H3.

What are the key properties of 4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)?

4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine) has a molecular weight of 2172.03 g/mol, XLogP of 23.08, 24 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine) is sourced from PubChem (CID 158838842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).