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

C203H249F11N28O3 — CID 158392718

IUPAC2-[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
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(-c3ccccc3)nc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccn(CC(F)(F)F)n3)c(F)c2)CC1.CC(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)c(O)c2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1.CC(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1F.Cc1c(CN2CCC(CC#N)(C(C)(C)C)CC2)ccc(-c2ccccc2)c1O
InChIInChI=1S/C25H32N2O.C24H29FN2O.C24H29FN2.C23H28F4N4.C23H27F2N3.C23H28FN3.C23H27FN2O.C19H24FN5.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;1-21(2,3)22(7-10-28)8-12-30(13-9-22)15-17-4-5-18(19(24)14-17)20-6-11-31(29-20)16-23(25,26)27;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(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;1-15(2)19(7-9-21)8-12-24(14-18(19)20)13-16-3-5-17(6-4-16)25-22-10-11-23-25;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;4-6,11,14H,7-9,12-13,15-16H2,1-3H3;4-10,20H,11-12,14-16H2,1-3H3;4-10,15,21H,11-12,14,16-17H2,1-3H3;3-9,14,17,22,27H,10-11,13,15-16H2,1-2H3;3-6,10-11,15,18H,7-8,12-14H2,1-2H3;3-6,11-12,16H,7-9,13-15H2,1-2H3
InChIKeyGXDXINBZJYLEMO-UHFFFAOYSA-N
MW3338.40 g/mol
LogP45.85
Rot. Bonds40

About 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

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 (PubChem CID 158392718) has the molecular formula C203H249F11N28O3 and a molecular weight of 3338.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158392718
Molecular FormulaC203H249F11N28O3
Molecular Weight3338.40 g/mol
Exact Mass3336.00
IUPAC Name2-[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
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(-c3ccccc3)nc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccn(CC(F)(F)F)n3)c(F)c2)CC1.CC(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)c(O)c2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1.CC(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1F.Cc1c(CN2CCC(CC#N)(C(C)(C)C)CC2)ccc(-c2ccccc2)c1O
InChIInChI=1S/C25H32N2O.C24H29FN2O.C24H29FN2.C23H28F4N4.C23H27F2N3.C23H28FN3.C23H27FN2O.C19H24FN5.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;1-21(2,3)22(7-10-28)8-12-30(13-9-22)15-17-4-5-18(19(24)14-17)20-6-11-31(29-20)16-23(25,26)27;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(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;1-15(2)19(7-9-21)8-12-24(14-18(19)20)13-16-3-5-17(6-4-16)25-22-10-11-23-25;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;4-6,11,14H,7-9,12-13,15-16H2,1-3H3;4-10,20H,11-12,14-16H2,1-3H3;4-10,15,21H,11-12,14,16-17H2,1-3H3;3-9,14,17,22,27H,10-11,13,15-16H2,1-2H3;3-6,10-11,15,18H,7-8,12-14H2,1-2H3;3-6,11-12,16H,7-9,13-15H2,1-2H3
InChIKeyGXDXINBZJYLEMO-UHFFFAOYSA-N
XLogP45.85
TPSA408.98 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds40
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003338.40
LogP ≤ 545.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(-c3ccccc3)nc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(-c3ccn(CC(F)(F)F)n3)c(F)c2)CC1.CC(C)C1(CC#N)CCN(Cc2ccc(-c3ccccc3)c(O)c2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1.CC(C)C1(CC#N)CCN(Cc2ccc(-n3nccn3)cc2)CC1F.Cc1c(CN2CCC(CC#N)(C(C)(C)C)CC2)ccc(-c2ccccc2)c1O.
What is the InChIKey of 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?
The InChIKey is GXDXINBZJYLEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O.C24H29FN2O.C24H29FN2.C23H28F4N4.C23H27F2N3.C23H28FN3.C23H27FN2O.C19H24FN5.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;1-21(2,3)22(7-10-28)8-12-30(13-9-22)15-17-4-5-18(19(24)14-17)20-6-11-31(29-20)16-23(25,26)27;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(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;1-15(2)19(7-9-21)8-12-24(14-18(19)20)13-16-3-5-17(6-4-16)25-22-10-11-23-25;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;4-6,11,14H,7-9,12-13,15-16H2,1-3H3;4-10,20H,11-12,14-16H2,1-3H3;4-10,15,21H,11-12,14,16-17H2,1-3H3;3-9,14,17,22,27H,10-11,13,15-16H2,1-2H3;3-6,10-11,15,18H,7-8,12-14H2,1-2H3;3-6,11-12,16H,7-9,13-15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3338.40 g/mol, XLogP of 45.85, 40 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158392718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).