2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile

C158H196F5N21O3 — CID 161248432

IUPAC2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile
SMILESCC(C)(C)C1(CC#N)CCN(Cc2cc(O)c(-c3ccccc3)cc2F)CC1.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)cc2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)nc2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)c(O)c2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1.Cc1c(CN2CCC(CC#N)(C(C)(C)C)CC2)ccc(-c2ccccc2)c1O
InChIInChI=1S/C25H32N2O.C24H29FN2O.C24H29FN2.C23H28FN3.C23H27FN2O.C20H26FN5.C19H25N5/c1-19-21(10-11-22(23(19)28)20-8-6-5-7-9-20)18-27-16-13-25(12-15-26,14-17-27)24(2,3)4;1-23(2,3)24(9-12-26)10-13-27(14-11-24)17-19-15-22(28)20(16-21(19)25)18-7-5-4-6-8-18;1-23(2,3)24(13-15-26)14-16-27(18-22(24)25)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20;1-22(2,3)23(11-13-25)12-14-27(17-21(23)24)16-18-9-10-20(26-15-18)19-7-5-4-6-8-19;1-17(2)23(10-12-25)11-13-26(16-22(23)24)15-18-8-9-20(21(27)14-18)19-6-4-3-5-7-19;1-19(2,3)20(8-10-22)9-13-25(15-18(20)21)14-16-4-6-17(7-5-16)26-23-11-12-24-26;1-16(2)19(7-10-20)8-13-23(14-9-19)15-17-3-5-18(6-4-17)24-21-11-12-22-24/h5-11,28H,12-14,16-18H2,1-4H3;4-8,15-16,28H,9-11,13-14,17H2,1-3H3;4-12,22H,13-14,16-18H2,1-3H3;4-10,15,21H,11-12,14,16-17H2,1-3H3;3-9,14,17,22,27H,10-11,13,15-16H2,1-2H3;4-7,11-12,18H,8-9,13-15H2,1-3H3;3-6,11-12,16H,7-9,13-15H2,1-2H3
InChIKeyVAYGMMATMHQPLX-UHFFFAOYSA-N
MW2532.44 g/mol
LogP35.07
Rot. Bonds30

About 2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile

2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile (PubChem CID 161248432) has the molecular formula C158H196F5N21O3 and a molecular weight of 2532.44 g/mol. Its IUPAC name is 2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile
PubChem CID161248432
Molecular FormulaC158H196F5N21O3
Molecular Weight2532.44 g/mol
Exact Mass2530.58
IUPAC Name2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile
SMILESCC(C)(C)C1(CC#N)CCN(Cc2cc(O)c(-c3ccccc3)cc2F)CC1.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)cc2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)nc2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)c(O)c2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1.Cc1c(CN2CCC(CC#N)(C(C)(C)C)CC2)ccc(-c2ccccc2)c1O
InChIInChI=1S/C25H32N2O.C24H29FN2O.C24H29FN2.C23H28FN3.C23H27FN2O.C20H26FN5.C19H25N5/c1-19-21(10-11-22(23(19)28)20-8-6-5-7-9-20)18-27-16-13-25(12-15-26,14-17-27)24(2,3)4;1-23(2,3)24(9-12-26)10-13-27(14-11-24)17-19-15-22(28)20(16-21(19)25)18-7-5-4-6-8-18;1-23(2,3)24(13-15-26)14-16-27(18-22(24)25)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20;1-22(2,3)23(11-13-25)12-14-27(17-21(23)24)16-18-9-10-20(26-15-18)19-7-5-4-6-8-19;1-17(2)23(10-12-25)11-13-26(16-22(23)24)15-18-8-9-20(21(27)14-18)19-6-4-3-5-7-19;1-19(2,3)20(8-10-22)9-13-25(15-18(20)21)14-16-4-6-17(7-5-16)26-23-11-12-24-26;1-16(2)19(7-10-20)8-13-23(14-9-19)15-17-3-5-18(6-4-17)24-21-11-12-22-24/h5-11,28H,12-14,16-18H2,1-4H3;4-8,15-16,28H,9-11,13-14,17H2,1-3H3;4-12,22H,13-14,16-18H2,1-3H3;4-10,15,21H,11-12,14,16-17H2,1-3H3;3-9,14,17,22,27H,10-11,13,15-16H2,1-2H3;4-7,11-12,18H,8-9,13-15H2,1-3H3;3-6,11-12,16H,7-9,13-15H2,1-2H3
InChIKeyVAYGMMATMHQPLX-UHFFFAOYSA-N
XLogP35.07
TPSA324.21 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002532.44
LogP ≤ 535.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile with MolForge

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Related Compounds

2-[4-Tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[3-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile
CID 157307408
2-[4-Tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[3-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile
CID 158272460
2-[4-Tert-butyl-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[3-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile
CID 158392718
2-[4-Tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[3-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile
CID 158404067
2-[4-Tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[3-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile
CID 159411654
2-[2-[3,5-Bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
CID 139429796
3-[5-[2-[3,5-Bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol
CID 142438955
2-[4-Tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile
CID 157389905
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-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile
CID 157604455
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-[(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-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile
CID 158851299
2-[2-[3,5-Bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
CID 158882279
2-[4-Tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(2-fluoro-3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile
CID 159089044

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile (CID 161248432) is 2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile is CC(C)(C)C1(CC#N)CCN(Cc2cc(O)c(-c3ccccc3)cc2F)CC1.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)cc2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)nc2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)c(O)c2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1.Cc1c(CN2CCC(CC#N)(C(C)(C)C)CC2)ccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile?
The InChIKey is VAYGMMATMHQPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O.C24H29FN2O.C24H29FN2.C23H28FN3.C23H27FN2O.C20H26FN5.C19H25N5/c1-19-21(10-11-22(23(19)28)20-8-6-5-7-9-20)18-27-16-13-25(12-15-26,14-17-27)24(2,3)4;1-23(2,3)24(9-12-26)10-13-27(14-11-24)17-19-15-22(28)20(16-21(19)25)18-7-5-4-6-8-18;1-23(2,3)24(13-15-26)14-16-27(18-22(24)25)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20;1-22(2,3)23(11-13-25)12-14-27(17-21(23)24)16-18-9-10-20(26-15-18)19-7-5-4-6-8-19;1-17(2)23(10-12-25)11-13-26(16-22(23)24)15-18-8-9-20(21(27)14-18)19-6-4-3-5-7-19;1-19(2,3)20(8-10-22)9-13-25(15-18(20)21)14-16-4-6-17(7-5-16)26-23-11-12-24-26;1-16(2)19(7-10-20)8-13-23(14-9-19)15-17-3-5-18(6-4-17)24-21-11-12-22-24/h5-11,28H,12-14,16-18H2,1-4H3;4-8,15-16,28H,9-11,13-14,17H2,1-3H3;4-12,22H,13-14,16-18H2,1-3H3;4-10,15,21H,11-12,14,16-17H2,1-3H3;3-9,14,17,22,27H,10-11,13,15-16H2,1-2H3;4-7,11-12,18H,8-9,13-15H2,1-3H3;3-6,11-12,16H,7-9,13-15H2,1-2H3.
What are the key properties of 2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile?
2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile has a molecular weight of 2532.44 g/mol, XLogP of 35.07, 30 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[4-propan-2-yl-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile is sourced from PubChem (CID 161248432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).