4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine

C157H243F3N16O11S — CID 160595346

IUPAC4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
SMILESCC(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CC(C)(C)c1cc(CC2CCOCC2)ncn1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)C2)cc1.CC(C)(C)c1ccc(OC2CCN(S(C)(=O)=O)C2)cc1.CC(C)(C)c1ccnc(CC2CCNC2)c1.CC(C)(C)c1ccnc(CC2CCNCC2)c1.CC(C)(C)c1ccnc(CC2CCOCC2)c1.CC(C)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CN(C)C(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN(CC(N)=O)Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C21H35N3O.C17H27NO.C16H22F3NO.C16H23NO2.C15H24N2.C15H23NO3S.C15H23NO.2C14H22N2O.C14H22N2/c1-21(2,3)19-9-6-8-18(16-19)17-24-14-12-23(13-15-24)11-7-10-20(25)22(4)5;1-13(2)18-11-10-16(12-18)19-15-8-6-14(7-9-15)17(3,4)5;1-15(2,3)12-4-6-13(7-5-12)21-14-8-9-20(10-14)11-16(17,18)19;1-12(18)17-10-9-15(11-17)19-14-7-5-13(6-8-14)16(2,3)4;1-15(2,3)13-6-9-17-14(11-13)10-12-4-7-16-8-5-12;1-15(2,3)12-5-7-13(8-6-12)19-14-9-10-16(11-14)20(4,17)18;1-15(2,3)13-4-7-16-14(11-13)10-12-5-8-17-9-6-12;1-14(2,3)13-9-12(15-10-16-13)8-11-4-6-17-7-5-11;1-14(2,3)12-7-5-6-11(8-12)9-16(4)10-13(15)17;1-14(2,3)12-5-7-16-13(9-12)8-11-4-6-15-10-11/h6,8-9,16H,7,10-15,17H2,1-5H3;6-9,13,16H,10-12H2,1-5H3;4-7,14H,8-11H2,1-3H3;5-8,15H,9-11H2,1-4H3;6,9,11-12,16H,4-5,7-8,10H2,1-3H3;5-8,14H,9-11H2,1-4H3;4,7,11-12H,5-6,8-10H2,1-3H3;9-11H,4-8H2,1-3H3;5-8H,9-10H2,1-4H3,(H2,15,17);5,7,9,11,15H,4,6,8,10H2,1-3H3
InChIKeyRDOCJEZHGRKGPY-UHFFFAOYSA-N
MW2619.83 g/mol
LogP29.64
Rot. Bonds29

About 4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine

4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine (PubChem CID 160595346) has the molecular formula C157H243F3N16O11S and a molecular weight of 2619.83 g/mol. Its IUPAC name is 4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
PubChem CID160595346
Molecular FormulaC157H243F3N16O11S
Molecular Weight2619.83 g/mol
Exact Mass2617.86
IUPAC Name4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
SMILESCC(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CC(C)(C)c1cc(CC2CCOCC2)ncn1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)C2)cc1.CC(C)(C)c1ccc(OC2CCN(S(C)(=O)=O)C2)cc1.CC(C)(C)c1ccnc(CC2CCNC2)c1.CC(C)(C)c1ccnc(CC2CCNCC2)c1.CC(C)(C)c1ccnc(CC2CCOCC2)c1.CC(C)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CN(C)C(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN(CC(N)=O)Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C21H35N3O.C17H27NO.C16H22F3NO.C16H23NO2.C15H24N2.C15H23NO3S.C15H23NO.2C14H22N2O.C14H22N2/c1-21(2,3)19-9-6-8-18(16-19)17-24-14-12-23(13-15-24)11-7-10-20(25)22(4)5;1-13(2)18-11-10-16(12-18)19-15-8-6-14(7-9-15)17(3,4)5;1-15(2,3)12-4-6-13(7-5-12)21-14-8-9-20(10-14)11-16(17,18)19;1-12(18)17-10-9-15(11-17)19-14-7-5-13(6-8-14)16(2,3)4;1-15(2,3)13-6-9-17-14(11-13)10-12-4-7-16-8-5-12;1-15(2,3)12-5-7-13(8-6-12)19-14-9-10-16(11-14)20(4,17)18;1-15(2,3)13-4-7-16-14(11-13)10-12-5-8-17-9-6-12;1-14(2,3)13-9-12(15-10-16-13)8-11-4-6-17-7-5-11;1-14(2,3)12-7-5-6-11(8-12)9-16(4)10-13(15)17;1-14(2,3)12-5-7-16-13(9-12)8-11-4-6-15-10-11/h6,8-9,16H,7,10-15,17H2,1-5H3;6-9,13,16H,10-12H2,1-5H3;4-7,14H,8-11H2,1-3H3;5-8,15H,9-11H2,1-4H3;6,9,11-12,16H,4-5,7-8,10H2,1-3H3;5-8,14H,9-11H2,1-4H3;4,7,11-12H,5-6,8-10H2,1-3H3;9-11H,4-8H2,1-3H3;5-8H,9-10H2,1-4H3,(H2,15,17);5,7,9,11,15H,4,6,8,10H2,1-3H3
InChIKeyRDOCJEZHGRKGPY-UHFFFAOYSA-N
XLogP29.64
TPSA281.18 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002619.83
LogP ≤ 529.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine?
The IUPAC name of 4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine (CID 160595346) is 4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine?
The canonical SMILES for 4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine is CC(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CC(C)(C)c1cc(CC2CCOCC2)ncn1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)C2)cc1.CC(C)(C)c1ccc(OC2CCN(S(C)(=O)=O)C2)cc1.CC(C)(C)c1ccnc(CC2CCNC2)c1.CC(C)(C)c1ccnc(CC2CCNCC2)c1.CC(C)(C)c1ccnc(CC2CCOCC2)c1.CC(C)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CN(C)C(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN(CC(N)=O)Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine?
The InChIKey is RDOCJEZHGRKGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O.C17H27NO.C16H22F3NO.C16H23NO2.C15H24N2.C15H23NO3S.C15H23NO.2C14H22N2O.C14H22N2/c1-21(2,3)19-9-6-8-18(16-19)17-24-14-12-23(13-15-24)11-7-10-20(25)22(4)5;1-13(2)18-11-10-16(12-18)19-15-8-6-14(7-9-15)17(3,4)5;1-15(2,3)12-4-6-13(7-5-12)21-14-8-9-20(10-14)11-16(17,18)19;1-12(18)17-10-9-15(11-17)19-14-7-5-13(6-8-14)16(2,3)4;1-15(2,3)13-6-9-17-14(11-13)10-12-4-7-16-8-5-12;1-15(2,3)12-5-7-13(8-6-12)19-14-9-10-16(11-14)20(4,17)18;1-15(2,3)13-4-7-16-14(11-13)10-12-5-8-17-9-6-12;1-14(2,3)13-9-12(15-10-16-13)8-11-4-6-17-7-5-11;1-14(2,3)12-7-5-6-11(8-12)9-16(4)10-13(15)17;1-14(2,3)12-5-7-16-13(9-12)8-11-4-6-15-10-11/h6,8-9,16H,7,10-15,17H2,1-5H3;6-9,13,16H,10-12H2,1-5H3;4-7,14H,8-11H2,1-3H3;5-8,15H,9-11H2,1-4H3;6,9,11-12,16H,4-5,7-8,10H2,1-3H3;5-8,14H,9-11H2,1-4H3;4,7,11-12H,5-6,8-10H2,1-3H3;9-11H,4-8H2,1-3H3;5-8H,9-10H2,1-4H3,(H2,15,17);5,7,9,11,15H,4,6,8,10H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine?
4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine has a molecular weight of 2619.83 g/mol, XLogP of 29.64, 29 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine is sourced from PubChem (CID 160595346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).