(2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine

C180H257F26N21 — CID 161089194

IUPAC(2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccccn1.CC(C)(C)N1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1.CC(C)(C)N1CC[C@@H](CF)C[C@H]1c1ccc(F)cc1.CC(C)(C)N1CC[C@H](C#N)C[C@@H]1c1ccc(F)cc1.CC(C)(C)N1CC[C@H](CF)C[C@@H]1c1ccc(F)cc1.CC(C)N1CC[C@@H](C#N)C[C@H]1c1ccc(F)cc1.CC(C)N1CC[C@@H](C(F)(F)F)C[C@H]1c1cnn(C)c1.CC(C)N1CC[C@@H](C(F)F)C[C@H]1c1ccc(F)cc1.CC(C)N1CC[C@H](C(F)F)C[C@@H]1c1ccc(F)cc1.C[C@@H]1CCN(C(C)(C)C)[C@H](c2ccc(F)cc2)C1.C[C@H]1CCN(C(C)(C)C)[C@@H](c2ccc(F)cc2)C1.Cn1ccc([C@@H]2C[C@H](C(F)(F)F)CCN2C(C)(C)C)n1
InChIInChI=1S/2C16H23F2N.C16H21FN2.2C16H24FN.C15H21F3N2.2C15H20F3N.C15H19FN2.C14H22F3N3.2C13H20F3N3/c2*1-16(2,3)19-9-8-12(11-17)10-15(19)13-4-6-14(18)7-5-13;1-16(2,3)19-9-8-12(11-18)10-15(19)13-4-6-14(17)7-5-13;2*1-12-9-10-18(16(2,3)4)15(11-12)13-5-7-14(17)8-6-13;1-14(2,3)20-9-7-11(15(16,17)18)10-13(20)12-6-4-5-8-19-12;2*1-10(2)19-8-7-12(15(17)18)9-14(19)11-3-5-13(16)6-4-11;1-11(2)18-8-7-12(10-17)9-15(18)13-3-5-14(16)6-4-13;1-13(2,3)20-8-5-10(14(15,16)17)9-12(20)11-6-7-19(4)18-11;1-12(2,3)19-5-4-10(13(14,15)16)6-11(19)9-7-17-18-8-9;1-9(2)19-5-4-11(13(14,15)16)6-12(19)10-7-17-18(3)8-10/h2*4-7,12,15H,8-11H2,1-3H3;4-7,12,15H,8-10H2,1-3H3;2*5-8,12,15H,9-11H2,1-4H3;4-6,8,11,13H,7,9-10H2,1-3H3;2*3-6,10,12,14-15H,7-9H2,1-2H3;3-6,11-12,15H,7-9H2,1-2H3;6-7,10,12H,5,8-9H2,1-4H3;7-8,10-11H,4-6H2,1-3H3,(H,17,18);7-9,11-12H,4-6H2,1-3H3/t5*12-,15+;11-,13+;2*12-,14+;12-,15+;10-,12+;10-,11+;11-,12+/m100101101111/s1
InChIKeyUGYDFHHLINCHOF-NPKPIOQGSA-N
MW3209.13 g/mol
LogP47.80
Rot. Bonds20

About (2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine

(2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 161089194) has the molecular formula C180H257F26N21 and a molecular weight of 3209.13 g/mol. Its IUPAC name is (2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID161089194
Molecular FormulaC180H257F26N21
Molecular Weight3209.13 g/mol
Exact Mass3207.03
IUPAC Name(2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccccn1.CC(C)(C)N1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1.CC(C)(C)N1CC[C@@H](CF)C[C@H]1c1ccc(F)cc1.CC(C)(C)N1CC[C@H](C#N)C[C@@H]1c1ccc(F)cc1.CC(C)(C)N1CC[C@H](CF)C[C@@H]1c1ccc(F)cc1.CC(C)N1CC[C@@H](C#N)C[C@H]1c1ccc(F)cc1.CC(C)N1CC[C@@H](C(F)(F)F)C[C@H]1c1cnn(C)c1.CC(C)N1CC[C@@H](C(F)F)C[C@H]1c1ccc(F)cc1.CC(C)N1CC[C@H](C(F)F)C[C@@H]1c1ccc(F)cc1.C[C@@H]1CCN(C(C)(C)C)[C@H](c2ccc(F)cc2)C1.C[C@H]1CCN(C(C)(C)C)[C@@H](c2ccc(F)cc2)C1.Cn1ccc([C@@H]2C[C@H](C(F)(F)F)CCN2C(C)(C)C)n1
InChIInChI=1S/2C16H23F2N.C16H21FN2.2C16H24FN.C15H21F3N2.2C15H20F3N.C15H19FN2.C14H22F3N3.2C13H20F3N3/c2*1-16(2,3)19-9-8-12(11-17)10-15(19)13-4-6-14(18)7-5-13;1-16(2,3)19-9-8-12(11-18)10-15(19)13-4-6-14(17)7-5-13;2*1-12-9-10-18(16(2,3)4)15(11-12)13-5-7-14(17)8-6-13;1-14(2,3)20-9-7-11(15(16,17)18)10-13(20)12-6-4-5-8-19-12;2*1-10(2)19-8-7-12(15(17)18)9-14(19)11-3-5-13(16)6-4-11;1-11(2)18-8-7-12(10-17)9-15(18)13-3-5-14(16)6-4-13;1-13(2,3)20-8-5-10(14(15,16)17)9-12(20)11-6-7-19(4)18-11;1-12(2,3)19-5-4-10(13(14,15)16)6-11(19)9-7-17-18-8-9;1-9(2)19-5-4-11(13(14,15)16)6-12(19)10-7-17-18(3)8-10/h2*4-7,12,15H,8-11H2,1-3H3;4-7,12,15H,8-10H2,1-3H3;2*5-8,12,15H,9-11H2,1-4H3;4-6,8,11,13H,7,9-10H2,1-3H3;2*3-6,10,12,14-15H,7-9H2,1-2H3;3-6,11-12,15H,7-9H2,1-2H3;6-7,10,12H,5,8-9H2,1-4H3;7-8,10-11H,4-6H2,1-3H3,(H,17,18);7-9,11-12H,4-6H2,1-3H3/t5*12-,15+;11-,13+;2*12-,14+;12-,15+;10-,12+;10-,11+;11-,12+/m100101101111/s1
InChIKeyUGYDFHHLINCHOF-NPKPIOQGSA-N
XLogP47.80
TPSA163.67 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003209.13
LogP ≤ 547.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze (2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine with MolForge

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Launch Full Analysis

Related Compounds

4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
CID 18629289
4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine
CID 123268810
5-[2-[3,5-bis[2-[6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-3-yl]phenyl]phenyl]phenyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine
CID 137150157
(Z)-1-[5-[2-[3,5-bis[2-[6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-en-1-amine
CID 139352172
(Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 144962031
(2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine
CID 157072549
2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine
CID 157072755
2-(2,4-difluorophenyl)pyridine;hydrazine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 157806539
bis(3,4-difluoro-5-methyl-1H-pyrazole);ethane;1,4,5,6,7,8-hexafluoro-3-methylisoquinoline;pentakis(3-methylisoquinoline);decakis(5-methyl-1H-pyrazole);nonakis(1,1,1-trifluoroethane)
CID 161082766
2-(2,4-difluorophenyl)pyridine;ruthenium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 161496314
2-(2,4-difluorophenyl)pyridine;iridium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 161780102
(2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine
CID 162157560

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of (2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine (CID 161089194) is (2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine is CC(C)(C)N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccccn1.CC(C)(C)N1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1.CC(C)(C)N1CC[C@@H](CF)C[C@H]1c1ccc(F)cc1.CC(C)(C)N1CC[C@H](C#N)C[C@@H]1c1ccc(F)cc1.CC(C)(C)N1CC[C@H](CF)C[C@@H]1c1ccc(F)cc1.CC(C)N1CC[C@@H](C#N)C[C@H]1c1ccc(F)cc1.CC(C)N1CC[C@@H](C(F)(F)F)C[C@H]1c1cnn(C)c1.CC(C)N1CC[C@@H](C(F)F)C[C@H]1c1ccc(F)cc1.CC(C)N1CC[C@H](C(F)F)C[C@@H]1c1ccc(F)cc1.C[C@@H]1CCN(C(C)(C)C)[C@H](c2ccc(F)cc2)C1.C[C@H]1CCN(C(C)(C)C)[C@@H](c2ccc(F)cc2)C1.Cn1ccc([C@@H]2C[C@H](C(F)(F)F)CCN2C(C)(C)C)n1.
What is the InChIKey of (2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is UGYDFHHLINCHOF-NPKPIOQGSA-N. The full InChI is InChI=1S/2C16H23F2N.C16H21FN2.2C16H24FN.C15H21F3N2.2C15H20F3N.C15H19FN2.C14H22F3N3.2C13H20F3N3/c2*1-16(2,3)19-9-8-12(11-17)10-15(19)13-4-6-14(18)7-5-13;1-16(2,3)19-9-8-12(11-18)10-15(19)13-4-6-14(17)7-5-13;2*1-12-9-10-18(16(2,3)4)15(11-12)13-5-7-14(17)8-6-13;1-14(2,3)20-9-7-11(15(16,17)18)10-13(20)12-6-4-5-8-19-12;2*1-10(2)19-8-7-12(15(17)18)9-14(19)11-3-5-13(16)6-4-11;1-11(2)18-8-7-12(10-17)9-15(18)13-3-5-14(16)6-4-13;1-13(2,3)20-8-5-10(14(15,16)17)9-12(20)11-6-7-19(4)18-11;1-12(2,3)19-5-4-10(13(14,15)16)6-11(19)9-7-17-18-8-9;1-9(2)19-5-4-11(13(14,15)16)6-12(19)10-7-17-18(3)8-10/h2*4-7,12,15H,8-11H2,1-3H3;4-7,12,15H,8-10H2,1-3H3;2*5-8,12,15H,9-11H2,1-4H3;4-6,8,11,13H,7,9-10H2,1-3H3;2*3-6,10,12,14-15H,7-9H2,1-2H3;3-6,11-12,15H,7-9H2,1-2H3;6-7,10,12H,5,8-9H2,1-4H3;7-8,10-11H,4-6H2,1-3H3,(H,17,18);7-9,11-12H,4-6H2,1-3H3/t5*12-,15+;11-,13+;2*12-,14+;12-,15+;10-,12+;10-,11+;11-,12+/m100101101111/s1.
What are the key properties of (2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine?
(2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 3209.13 g/mol, XLogP of 47.80, 20 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2S,4R)-1-tert-butyl-4-(fluoromethyl)-2-(4-fluorophenyl)piperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2S,4R)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine;(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)piperidine-4-carbonitrile;(2S,4R)-1-tert-butyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine;(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine;2-[(2S,4R)-1-tert-butyl-4-(trifluoromethyl)piperidin-2-yl]pyridine;(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine;(2S,4R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonitrile;(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 161089194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).