2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile

C167H204F8N16O5 — CID 160885502

IUPAC2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile
SMILESCC(C)(C)C1(CC#N)CCN(Cc2cc(O)c(-c3ccccc3)cc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)cc2O)CC1.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)nc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccoc3)cc2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2cnc(-c3ccccc3)cc2F)CC1.CCc1ccc(-c2ccc(CN3CCC(CC#N)(C(C)(C)C)C(F)C3)cc2O)cc1.Cc1c(CN2CCC(CC#N)(C(C)(C)C)C(F)C2)ccc(-c2ccccc2)c1O
InChIInChI=1S/C26H33FN2O.C25H31FN2O.C24H28F2N2O.C24H30N2O.C23H27F2N3.C23H28FN3.C22H27FN2O/c1-5-19-6-9-21(10-7-19)22-11-8-20(16-23(22)30)17-29-15-13-26(12-14-28,24(27)18-29)25(2,3)4;1-18-20(10-11-21(23(18)29)19-8-6-5-7-9-19)16-28-15-13-25(12-14-27,22(26)17-28)24(2,3)4;1-23(2,3)24(9-11-27)10-12-28(16-22(24)26)15-18-13-21(29)19(14-20(18)25)17-7-5-4-6-8-17;1-23(2,3)24(11-14-25)12-15-26(16-13-24)18-21-10-9-20(17-22(21)27)19-7-5-4-6-8-19;1-22(2,3)23(11-13-26)12-14-28(16-20(23)24)15-18-9-10-19(27-21(18)25)17-7-5-4-6-8-17;1-22(2,3)23(9-12-25)10-13-27(14-11-23)17-19-16-26-21(15-20(19)24)18-7-5-4-6-8-18;1-21(2,3)22(9-11-24)10-12-25(15-20(22)23)14-17-4-6-18(7-5-17)19-8-13-26-16-19/h6-11,16,24,30H,5,12-13,15,17-18H2,1-4H3;5-11,22,29H,12-13,15-17H2,1-4H3;4-8,13-14,22,29H,9-10,12,15-16H2,1-3H3;4-10,17,27H,11-13,15-16,18H2,1-3H3;4-10,20H,11-12,14-16H2,1-3H3;4-8,15-16H,9-11,13-14,17H2,1-3H3;4-8,13,16,20H,9-10,12,14-15H2,1-3H3
InChIKeySNOSFUMNKSRWRK-UHFFFAOYSA-N
MW2667.56 g/mol
LogP39.50
Rot. Bonds29

About 2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile

2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile (PubChem CID 160885502) has the molecular formula C167H204F8N16O5 and a molecular weight of 2667.56 g/mol. Its IUPAC name is 2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile
PubChem CID160885502
Molecular FormulaC167H204F8N16O5
Molecular Weight2667.56 g/mol
Exact Mass2665.61
IUPAC Name2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile
SMILESCC(C)(C)C1(CC#N)CCN(Cc2cc(O)c(-c3ccccc3)cc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)cc2O)CC1.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)nc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccoc3)cc2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2cnc(-c3ccccc3)cc2F)CC1.CCc1ccc(-c2ccc(CN3CCC(CC#N)(C(C)(C)C)C(F)C3)cc2O)cc1.Cc1c(CN2CCC(CC#N)(C(C)(C)C)C(F)C2)ccc(-c2ccccc2)c1O
InChIInChI=1S/C26H33FN2O.C25H31FN2O.C24H28F2N2O.C24H30N2O.C23H27F2N3.C23H28FN3.C22H27FN2O/c1-5-19-6-9-21(10-7-19)22-11-8-20(16-23(22)30)17-29-15-13-26(12-14-28,24(27)18-29)25(2,3)4;1-18-20(10-11-21(23(18)29)19-8-6-5-7-9-19)16-28-15-13-25(12-14-27,22(26)17-28)24(2,3)4;1-23(2,3)24(9-11-27)10-12-28(16-22(24)26)15-18-13-21(29)19(14-20(18)25)17-7-5-4-6-8-17;1-23(2,3)24(11-14-25)12-15-26(16-13-24)18-21-10-9-20(17-22(21)27)19-7-5-4-6-8-19;1-22(2,3)23(11-13-26)12-14-28(16-20(23)24)15-18-9-10-19(27-21(18)25)17-7-5-4-6-8-17;1-22(2,3)23(9-12-25)10-13-27(14-11-23)17-19-16-26-21(15-20(19)24)18-7-5-4-6-8-18;1-21(2,3)22(9-11-24)10-12-25(15-20(22)23)14-17-4-6-18(7-5-17)19-8-13-26-16-19/h6-11,16,24,30H,5,12-13,15,17-18H2,1-4H3;5-11,22,29H,12-13,15-17H2,1-4H3;4-8,13-14,22,29H,9-10,12,15-16H2,1-3H3;4-10,17,27H,11-13,15-16,18H2,1-3H3;4-10,20H,11-12,14-16H2,1-3H3;4-8,15-16H,9-11,13-14,17H2,1-3H3;4-8,13,16,20H,9-10,12,14-15H2,1-3H3
InChIKeySNOSFUMNKSRWRK-UHFFFAOYSA-N
XLogP39.50
TPSA309.05 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002667.56
LogP ≤ 539.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile with MolForge

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Related Compounds

2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-5'-(furan-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908886
cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157114186
2,7-Bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine
CID 158288422
4-[8-[(4,4-Dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylic acid;6-[8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylic acid;4-[8-[[5-(trifluoromethoxy)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid
CID 159062073
1-(1,7-Difluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-6-(2,2-dimethylpropyl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium
CID 159352793
cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 159405308
(4-Tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-2-fluoro-6-phenylpyridine;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;5-(2,2-dimethylpropyl)-2-phenylphenol;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate
CID 159540600
Bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(1,1-difluoro-2,5-dimethylcyclohexane);3,4-difluoro-1-methoxy-2,5-dimethylbenzene;2,5-dimethylbenzaldehyde;1,4-dimethylcyclohexane;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(1-fluoro-1,4-dimethylcyclohexane);bis(2-fluoro-3,6-dimethylpyridine);1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,1,2,5-tetramethylcyclohexane);bis(1,2,4-trimethylbenzene);bis(1,1,4-trimethylcyclohexane);bis(2,3,6-trimethylpyridine);tris(1,4-xylene)
CID 160040459
cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene
CID 160659733
4-Cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine
CID 163450676
tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde
CID 165087330
3-[5-[2-[3-[2-(4-Dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine
CID 165148498

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile (CID 160885502) is 2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile is CC(C)(C)C1(CC#N)CCN(Cc2cc(O)c(-c3ccccc3)cc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)cc2O)CC1.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)nc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccoc3)cc2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2cnc(-c3ccccc3)cc2F)CC1.CCc1ccc(-c2ccc(CN3CCC(CC#N)(C(C)(C)C)C(F)C3)cc2O)cc1.Cc1c(CN2CCC(CC#N)(C(C)(C)C)C(F)C2)ccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile?
The InChIKey is SNOSFUMNKSRWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O.C25H31FN2O.C24H28F2N2O.C24H30N2O.C23H27F2N3.C23H28FN3.C22H27FN2O/c1-5-19-6-9-21(10-7-19)22-11-8-20(16-23(22)30)17-29-15-13-26(12-14-28,24(27)18-29)25(2,3)4;1-18-20(10-11-21(23(18)29)19-8-6-5-7-9-19)16-28-15-13-25(12-14-27,22(26)17-28)24(2,3)4;1-23(2,3)24(9-11-27)10-12-28(16-22(24)26)15-18-13-21(29)19(14-20(18)25)17-7-5-4-6-8-17;1-23(2,3)24(11-14-25)12-15-26(16-13-24)18-21-10-9-20(17-22(21)27)19-7-5-4-6-8-19;1-22(2,3)23(11-13-26)12-14-28(16-20(23)24)15-18-9-10-19(27-21(18)25)17-7-5-4-6-8-17;1-22(2,3)23(9-12-25)10-13-27(14-11-23)17-19-16-26-21(15-20(19)24)18-7-5-4-6-8-18;1-21(2,3)22(9-11-24)10-12-25(15-20(22)23)14-17-4-6-18(7-5-17)19-8-13-26-16-19/h6-11,16,24,30H,5,12-13,15,17-18H2,1-4H3;5-11,22,29H,12-13,15-17H2,1-4H3;4-8,13-14,22,29H,9-10,12,15-16H2,1-3H3;4-10,17,27H,11-13,15-16,18H2,1-3H3;4-10,20H,11-12,14-16H2,1-3H3;4-8,15-16H,9-11,13-14,17H2,1-3H3;4-8,13,16,20H,9-10,12,14-15H2,1-3H3.
What are the key properties of 2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile?
2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile has a molecular weight of 2667.56 g/mol, XLogP of 39.50, 29 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile is sourced from PubChem (CID 160885502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).