4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine

C175H281F6N25O4S — CID 167586266

IUPAC4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine
SMILESCC(C)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1cnc(C2CCN(C)CC2)[nH]1.CC(C)c1cnc(C2CCN(C)CC2)o1.CC(C)c1cnc(C2CCN(C)CC2)s1.CC(C)c1cnc(C2CCNCC2)[nH]1.CCN1CCC(Oc2ccc(C(C)C)cc2)CC1.CCN1CCC(Oc2ccc(C(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)C)cc2C(F)(F)F)CC1.CN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H25F3N2.C17H28N2.C16H23F3N2.C16H27N3.2C16H25NO.C15H24N2O.C15H24N2.C12H21N3.C12H20N2O.C12H20N2S.C11H19N3/c1-4-21-7-9-22(10-8-21)12-15-6-5-14(13(2)3)11-16(15)17(18,19)20;1-5-18-10-12-19(13-11-18)14-15-6-8-16(9-7-15)17(2,3)4;1-12(2)13-4-5-14(15(10-13)16(17,18)19)11-21-8-6-20(3)7-9-21;1-5-18-8-10-19(11-9-18)13-14-6-7-15(17-12-14)16(2,3)4;1-16(2,3)13-5-7-14(8-6-13)18-15-9-11-17(4)12-10-15;1-4-17-11-9-16(10-12-17)18-15-7-5-14(6-8-15)13(2)3;1-4-17-9-7-13(8-10-17)18-14-5-6-15(12(2)3)16-11-14;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-9(2)11-8-13-12(14-11)10-4-6-15(3)7-5-10;2*1-9(2)11-8-13-12(15-11)10-4-6-14(3)7-5-10;1-8(2)10-7-13-11(14-10)9-3-5-12-6-4-9/h5-6,11,13H,4,7-10,12H2,1-3H3;6-9H,5,10-14H2,1-4H3;4-5,10,12H,6-9,11H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;5-8,15H,9-12H2,1-4H3;5-8,13,16H,4,9-12H2,1-3H3;5-6,11-13H,4,7-10H2,1-3H3;4-7,13H,8-12H2,1-3H3;8-10H,4-7H2,1-3H3,(H,13,14);2*8-10H,4-7H2,1-3H3;7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyHVPFUAZYPKKNOE-UHFFFAOYSA-N
MW2945.40 g/mol
LogP35.96
Rot. Bonds34

About 4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine

4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine (PubChem CID 167586266) has the molecular formula C175H281F6N25O4S and a molecular weight of 2945.40 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine
PubChem CID167586266
Molecular FormulaC175H281F6N25O4S
Molecular Weight2945.40 g/mol
Exact Mass2943.22
IUPAC Name4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine
SMILESCC(C)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1cnc(C2CCN(C)CC2)[nH]1.CC(C)c1cnc(C2CCN(C)CC2)o1.CC(C)c1cnc(C2CCN(C)CC2)s1.CC(C)c1cnc(C2CCNCC2)[nH]1.CCN1CCC(Oc2ccc(C(C)C)cc2)CC1.CCN1CCC(Oc2ccc(C(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)C)cc2C(F)(F)F)CC1.CN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H25F3N2.C17H28N2.C16H23F3N2.C16H27N3.2C16H25NO.C15H24N2O.C15H24N2.C12H21N3.C12H20N2O.C12H20N2S.C11H19N3/c1-4-21-7-9-22(10-8-21)12-15-6-5-14(13(2)3)11-16(15)17(18,19)20;1-5-18-10-12-19(13-11-18)14-15-6-8-16(9-7-15)17(2,3)4;1-12(2)13-4-5-14(15(10-13)16(17,18)19)11-21-8-6-20(3)7-9-21;1-5-18-8-10-19(11-9-18)13-14-6-7-15(17-12-14)16(2,3)4;1-16(2,3)13-5-7-14(8-6-13)18-15-9-11-17(4)12-10-15;1-4-17-11-9-16(10-12-17)18-15-7-5-14(6-8-15)13(2)3;1-4-17-9-7-13(8-10-17)18-14-5-6-15(12(2)3)16-11-14;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-9(2)11-8-13-12(14-11)10-4-6-15(3)7-5-10;2*1-9(2)11-8-13-12(15-11)10-4-6-14(3)7-5-10;1-8(2)10-7-13-11(14-10)9-3-5-12-6-4-9/h5-6,11,13H,4,7-10,12H2,1-3H3;6-9H,5,10-14H2,1-4H3;4-5,10,12H,6-9,11H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;5-8,15H,9-12H2,1-4H3;5-8,13,16H,4,9-12H2,1-3H3;5-6,11-13H,4,7-10H2,1-3H3;4-7,13H,8-12H2,1-3H3;8-10H,4-7H2,1-3H3,(H,13,14);2*8-10H,4-7H2,1-3H3;7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyHVPFUAZYPKKNOE-UHFFFAOYSA-N
XLogP35.96
TPSA213.62 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002945.40
LogP ≤ 535.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine with MolForge

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Launch Full Analysis

Related Compounds

cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-(trifluoromethoxy)propane
CID 160905418
cumene;2-(1,1-difluoroethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);4-propan-2-ylpyrimidine
CID 162119836
N-[4-[3,5-bis[(pyridin-2-ylmethylamino)methyl]phenoxy]butyl]-2,2,2-trifluoroacetamide;bis(2-(2,2-dimethylpropyl)-1H-imidazole);bis(2-(2,2-dimethylpropyl)-1,3-thiazole);methane;4-[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-[(pyridin-2-ylmethylamino)methyl]phenoxy]butan-1-amine;2,2,2-trifluoro-N-[4-[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-[(pyridin-2-ylmethylamino)methyl]phenoxy]butyl]acetamide
CID 163635780
1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine
CID 167656030
methane;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;2-methylheptane;1-methyl-3-(3-methylbutyl)benzene;10-methyl-N-[2-(3-methylphenyl)ethyl]undecanamide;1-methyl-3-(2-methylpropyl)benzene;2-methylpentane;N-[2-(3-methylphenyl)ethyl]nonan-1-amine;1-methyl-4-propan-2-ylimidazole;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yl-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-yl-1,3-thiazole
CID 157682307
cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)
CID 158260533
1-methoxy-3-(3-methylbutyl)benzene;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;2-methylheptane;10-methyl-N-[2-(3-methylphenyl)ethyl]undecanamide;2-methylpentane;N-[2-(3-methylphenyl)ethyl]nonan-1-amine;1-methyl-4-propan-2-ylimidazole;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yl-1H-imidazole;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-yl-1,3-thiazole
CID 161765333

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine?
The IUPAC name of 4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine (CID 167586266) is 4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine?
The canonical SMILES for 4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine is CC(C)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1cnc(C2CCN(C)CC2)[nH]1.CC(C)c1cnc(C2CCN(C)CC2)o1.CC(C)c1cnc(C2CCN(C)CC2)s1.CC(C)c1cnc(C2CCNCC2)[nH]1.CCN1CCC(Oc2ccc(C(C)C)cc2)CC1.CCN1CCC(Oc2ccc(C(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)C)cc2C(F)(F)F)CC1.CN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine?
The InChIKey is HVPFUAZYPKKNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2.C17H28N2.C16H23F3N2.C16H27N3.2C16H25NO.C15H24N2O.C15H24N2.C12H21N3.C12H20N2O.C12H20N2S.C11H19N3/c1-4-21-7-9-22(10-8-21)12-15-6-5-14(13(2)3)11-16(15)17(18,19)20;1-5-18-10-12-19(13-11-18)14-15-6-8-16(9-7-15)17(2,3)4;1-12(2)13-4-5-14(15(10-13)16(17,18)19)11-21-8-6-20(3)7-9-21;1-5-18-8-10-19(11-9-18)13-14-6-7-15(17-12-14)16(2,3)4;1-16(2,3)13-5-7-14(8-6-13)18-15-9-11-17(4)12-10-15;1-4-17-11-9-16(10-12-17)18-15-7-5-14(6-8-15)13(2)3;1-4-17-9-7-13(8-10-17)18-14-5-6-15(12(2)3)16-11-14;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-9(2)11-8-13-12(14-11)10-4-6-15(3)7-5-10;2*1-9(2)11-8-13-12(15-11)10-4-6-14(3)7-5-10;1-8(2)10-7-13-11(14-10)9-3-5-12-6-4-9/h5-6,11,13H,4,7-10,12H2,1-3H3;6-9H,5,10-14H2,1-4H3;4-5,10,12H,6-9,11H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;5-8,15H,9-12H2,1-4H3;5-8,13,16H,4,9-12H2,1-3H3;5-6,11-13H,4,7-10H2,1-3H3;4-7,13H,8-12H2,1-3H3;8-10H,4-7H2,1-3H3,(H,13,14);2*8-10H,4-7H2,1-3H3;7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine?
4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine has a molecular weight of 2945.40 g/mol, XLogP of 35.96, 34 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 167586266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).