4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane

C195H297F6N11O9S — CID 159512362

IUPAC4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
SMILESCC(=O)N1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(C2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cccc(CC2CCNCC2)c1.CC(C)(C)c1cccc(CC2CCOC2)c1.CC(C)(C)c1cccc(CC2CCOCC2O)c1.CC(C)(C)c1cccc(CC2COC2)c1.CC(C)(C)c1cccc(CN2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CN2CCN(S(C)(=O)=O)CC2)c1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C19H31N.C18H29N.C17H25F3N2.C17H24F3N.C17H26N2O.C16H26N2O2S.C16H25N.C16H24O2.C15H23NO.2C15H22O.C14H20O/c1-15(2)20-11-9-16(10-12-20)13-17-7-6-8-18(14-17)19(3,4)5;1-14(2)19-10-9-16(13-19)11-15-7-6-8-17(12-15)18(3,4)5;1-16(2,3)15-6-4-5-14(11-15)12-21-7-9-22(10-8-21)13-17(18,19)20;1-16(2,3)15-6-4-5-13(10-15)9-14-7-8-21(11-14)12-17(18,19)20;1-14(20)19-10-8-18(9-11-19)13-15-6-5-7-16(12-15)17(2,3)4;1-16(2,3)15-7-5-6-14(12-15)13-17-8-10-18(11-9-17)21(4,19)20;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-16(2,3)14-6-4-5-12(10-14)9-13-7-8-18-11-15(13)17;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)14-6-4-5-13(11-14)12-7-9-16-10-8-12;1-15(2,3)14-6-4-5-12(10-14)9-13-7-8-16-11-13;1-14(2,3)13-6-4-5-11(8-13)7-12-9-15-10-12/h6-8,14-16H,9-13H2,1-5H3;6-8,12,14,16H,9-11,13H2,1-5H3;4-6,11H,7-10,12-13H2,1-3H3;4-6,10,14H,7-9,11-12H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;5-7,12H,8-11,13H2,1-4H3;4-6,12-13,17H,7-11H2,1-3H3;4-6,10,13,15,17H,7-9,11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;4-6,10,13H,7-9,11H2,1-3H3;4-6,8,12H,7,9-10H2,1-3H3
InChIKeyMATLZEVKCQSHRD-UHFFFAOYSA-N
MW3085.64 g/mol
LogP41.87
Rot. Bonds28

About 4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane

4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane (PubChem CID 159512362) has the molecular formula C195H297F6N11O9S and a molecular weight of 3085.64 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
PubChem CID159512362
Molecular FormulaC195H297F6N11O9S
Molecular Weight3085.64 g/mol
Exact Mass3083.27
IUPAC Name4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
SMILESCC(=O)N1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(C2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cccc(CC2CCNCC2)c1.CC(C)(C)c1cccc(CC2CCOC2)c1.CC(C)(C)c1cccc(CC2CCOCC2O)c1.CC(C)(C)c1cccc(CC2COC2)c1.CC(C)(C)c1cccc(CN2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CN2CCN(S(C)(=O)=O)CC2)c1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C19H31N.C18H29N.C17H25F3N2.C17H24F3N.C17H26N2O.C16H26N2O2S.C16H25N.C16H24O2.C15H23NO.2C15H22O.C14H20O/c1-15(2)20-11-9-16(10-12-20)13-17-7-6-8-18(14-17)19(3,4)5;1-14(2)19-10-9-16(13-19)11-15-7-6-8-17(12-15)18(3,4)5;1-16(2,3)15-6-4-5-14(11-15)12-21-7-9-22(10-8-21)13-17(18,19)20;1-16(2,3)15-6-4-5-13(10-15)9-14-7-8-21(11-14)12-17(18,19)20;1-14(20)19-10-8-18(9-11-19)13-15-6-5-7-16(12-15)17(2,3)4;1-16(2,3)15-7-5-6-14(12-15)13-17-8-10-18(11-9-17)21(4,19)20;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-16(2,3)14-6-4-5-12(10-14)9-13-7-8-18-11-15(13)17;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)14-6-4-5-13(11-14)12-7-9-16-10-8-12;1-15(2,3)14-6-4-5-12(10-14)9-13-7-8-16-11-13;1-14(2,3)13-6-4-5-11(8-13)7-12-9-15-10-12/h6-8,14-16H,9-13H2,1-5H3;6-8,12,14,16H,9-11,13H2,1-5H3;4-6,11H,7-10,12-13H2,1-3H3;4-6,10,14H,7-9,11-12H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;5-7,12H,8-11,13H2,1-4H3;4-6,12-13,17H,7-11H2,1-3H3;4-6,10,13,15,17H,7-9,11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;4-6,10,13H,7-9,11H2,1-3H3;4-6,8,12H,7,9-10H2,1-3H3
InChIKeyMATLZEVKCQSHRD-UHFFFAOYSA-N
XLogP41.87
TPSA170.81 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003085.64
LogP ≤ 541.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane with MolForge

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Related Compounds

3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 157252748
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 157790454
3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]oxane;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 158696480
4-(4-Tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;4-(4-tert-butylphenoxy)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 159009023
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 159023316
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 159205539
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;4-(3-tert-butyl-4-methylphenyl)oxane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 159695238
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 160034969
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 160865254
4-(4-Tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 161304553
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 161560033
4-(4-Tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 162196208

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane?
The IUPAC name of 4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane (CID 159512362) is 4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane.
What is the SMILES notation for 4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane?
The canonical SMILES for 4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane is CC(=O)N1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(C2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cccc(CC2CCNCC2)c1.CC(C)(C)c1cccc(CC2CCOC2)c1.CC(C)(C)c1cccc(CC2CCOCC2O)c1.CC(C)(C)c1cccc(CC2COC2)c1.CC(C)(C)c1cccc(CN2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CN2CCN(S(C)(=O)=O)CC2)c1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of 4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane?
The InChIKey is MATLZEVKCQSHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N.C18H29N.C17H25F3N2.C17H24F3N.C17H26N2O.C16H26N2O2S.C16H25N.C16H24O2.C15H23NO.2C15H22O.C14H20O/c1-15(2)20-11-9-16(10-12-20)13-17-7-6-8-18(14-17)19(3,4)5;1-14(2)19-10-9-16(13-19)11-15-7-6-8-17(12-15)18(3,4)5;1-16(2,3)15-6-4-5-14(11-15)12-21-7-9-22(10-8-21)13-17(18,19)20;1-16(2,3)15-6-4-5-13(10-15)9-14-7-8-21(11-14)12-17(18,19)20;1-14(20)19-10-8-18(9-11-19)13-15-6-5-7-16(12-15)17(2,3)4;1-16(2,3)15-7-5-6-14(12-15)13-17-8-10-18(11-9-17)21(4,19)20;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-16(2,3)14-6-4-5-12(10-14)9-13-7-8-18-11-15(13)17;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)14-6-4-5-13(11-14)12-7-9-16-10-8-12;1-15(2,3)14-6-4-5-12(10-14)9-13-7-8-16-11-13;1-14(2,3)13-6-4-5-11(8-13)7-12-9-15-10-12/h6-8,14-16H,9-13H2,1-5H3;6-8,12,14,16H,9-11,13H2,1-5H3;4-6,11H,7-10,12-13H2,1-3H3;4-6,10,14H,7-9,11-12H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;5-7,12H,8-11,13H2,1-4H3;4-6,12-13,17H,7-11H2,1-3H3;4-6,10,13,15,17H,7-9,11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;4-6,10,13H,7-9,11H2,1-3H3;4-6,8,12H,7,9-10H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane?
4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane has a molecular weight of 3085.64 g/mol, XLogP of 41.87, 28 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane is sourced from PubChem (CID 159512362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).