(2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine

C209H333F4N27 — CID 157314716

IUPAC(2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine
SMILESCC(C)(C)N1CCCC[C@@H]1c1ccn[nH]1.CC(C)(C)N1CCCC[C@@H]1c1cn[nH]c1.CC(C)(C)N1CCCC[C@H]1c1ccn[nH]1.CC(C)(C)N1CCCC[C@H]1c1cn[nH]c1.CC(C)(C)N1CCC[C@H]1c1ccccc1.CC(C)(C)N1CC[C@@H](F)C[C@H]1c1ccccc1.CC(C)(C)N1CC[C@H](F)C[C@@H]1c1ccccc1.CC(C)(C)N1CC[C@H](F)C[C@H]1c1ccccc1.CC(C)N1CC[C@@H](F)C[C@@H]1c1ccccc1.C[C@@H]1CCCN(C(C)(C)C)C1c1ccccc1.C[C@@H]1CC[C@H](c2ccccc2)N(C(C)(C)C)C1.C[C@H]1CCCN(C(C)(C)C)[C@H]1c1ccccc1.C[C@H]1CC[C@@H](c2ccccc2)N(C(C)(C)C)C1.Cn1nccc1[C@@H]1CCCN1C(C)(C)C.Cn1nccc1[C@H]1CCCN1C(C)(C)C
InChIInChI=1S/4C16H25N.3C15H22FN.C14H20FN.C14H21N.6C12H21N3/c2*1-13-9-8-12-17(16(2,3)4)15(13)14-10-6-5-7-11-14;2*1-13-10-11-15(14-8-6-5-7-9-14)17(12-13)16(2,3)4;3*1-15(2,3)17-10-9-13(16)11-14(17)12-7-5-4-6-8-12;1-11(2)16-9-8-13(15)10-14(16)12-6-4-3-5-7-12;1-14(2,3)15-11-7-10-13(15)12-8-5-4-6-9-12;2*1-12(2,3)15-9-5-6-11(15)10-7-8-13-14(10)4;2*1-12(2,3)15-9-5-4-6-11(15)10-7-8-13-14-10;2*1-12(2,3)15-7-5-4-6-11(15)10-8-13-14-9-10/h2*5-7,10-11,13,15H,8-9,12H2,1-4H3;2*5-9,13,15H,10-12H2,1-4H3;3*4-8,13-14H,9-11H2,1-3H3;3-7,11,13-14H,8-10H2,1-2H3;4-6,8-9,13H,7,10-11H2,1-3H3;2*7-8,11H,5-6,9H2,1-4H3;2*7-8,11H,4-6,9H2,1-3H3,(H,13,14);2*8-9,11H,4-7H2,1-3H3,(H,13,14)/t13-,15?;13-,15+;2*13-,15-;2*13-,14+;2*13-,14-;13-;6*11-/m101010010101010/s1
InChIKeyBDLNQERVQJFCNC-AYCLELNKSA-N
MW3300.14 g/mol
LogP51.76
Rot. Bonds16

About (2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine

(2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine (PubChem CID 157314716) has the molecular formula C209H333F4N27 and a molecular weight of 3300.14 g/mol. Its IUPAC name is (2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine
PubChem CID157314716
Molecular FormulaC209H333F4N27
Molecular Weight3300.14 g/mol
Exact Mass3297.68
IUPAC Name(2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine
SMILESCC(C)(C)N1CCCC[C@@H]1c1ccn[nH]1.CC(C)(C)N1CCCC[C@@H]1c1cn[nH]c1.CC(C)(C)N1CCCC[C@H]1c1ccn[nH]1.CC(C)(C)N1CCCC[C@H]1c1cn[nH]c1.CC(C)(C)N1CCC[C@H]1c1ccccc1.CC(C)(C)N1CC[C@@H](F)C[C@H]1c1ccccc1.CC(C)(C)N1CC[C@H](F)C[C@@H]1c1ccccc1.CC(C)(C)N1CC[C@H](F)C[C@H]1c1ccccc1.CC(C)N1CC[C@@H](F)C[C@@H]1c1ccccc1.C[C@@H]1CCCN(C(C)(C)C)C1c1ccccc1.C[C@@H]1CC[C@H](c2ccccc2)N(C(C)(C)C)C1.C[C@H]1CCCN(C(C)(C)C)[C@H]1c1ccccc1.C[C@H]1CC[C@@H](c2ccccc2)N(C(C)(C)C)C1.Cn1nccc1[C@@H]1CCCN1C(C)(C)C.Cn1nccc1[C@H]1CCCN1C(C)(C)C
InChIInChI=1S/4C16H25N.3C15H22FN.C14H20FN.C14H21N.6C12H21N3/c2*1-13-9-8-12-17(16(2,3)4)15(13)14-10-6-5-7-11-14;2*1-13-10-11-15(14-8-6-5-7-9-14)17(12-13)16(2,3)4;3*1-15(2,3)17-10-9-13(16)11-14(17)12-7-5-4-6-8-12;1-11(2)16-9-8-13(15)10-14(16)12-6-4-3-5-7-12;1-14(2,3)15-11-7-10-13(15)12-8-5-4-6-9-12;2*1-12(2,3)15-9-5-6-11(15)10-7-8-13-14(10)4;2*1-12(2,3)15-9-5-4-6-11(15)10-7-8-13-14-10;2*1-12(2,3)15-7-5-4-6-11(15)10-8-13-14-9-10/h2*5-7,10-11,13,15H,8-9,12H2,1-4H3;2*5-9,13,15H,10-12H2,1-4H3;3*4-8,13-14H,9-11H2,1-3H3;3-7,11,13-14H,8-10H2,1-2H3;4-6,8-9,13H,7,10-11H2,1-3H3;2*7-8,11H,5-6,9H2,1-4H3;2*7-8,11H,4-6,9H2,1-3H3,(H,13,14);2*8-9,11H,4-7H2,1-3H3,(H,13,14)/t13-,15?;13-,15+;2*13-,15-;2*13-,14+;2*13-,14-;13-;6*11-/m101010010101010/s1
InChIKeyBDLNQERVQJFCNC-AYCLELNKSA-N
XLogP51.76
TPSA198.96 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003300.14
LogP ≤ 551.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze (2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

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
(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
CID 157436549
CID 157436549
tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);iridium;tris(iridium(3+));hexakis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 159032649
tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 159146397
tetrakis(chloroiridium(2+));bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(2-phenylpyridine);tetrakis(1H-pyrazole);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)
CID 160263725
1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-amine;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 160370943
(2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethoxy)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine
CID 160412478
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
(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
2-pyrazol-1-id-3-ylpyridine;pentakis(2-pyrazol-2-id-3-ylpyridine);hexakis(2-(1H-pyrazol-3-yl)pyridine);tetrakis(ruthenium(2+));toluene;dihexafluorophosphate
CID 139163544
5,10,15,20-tetrakis[4-(3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-21,23-dihydroporphyrin
CID 141519252

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine?
The IUPAC name of (2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine (CID 157314716) is (2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine.
What is the SMILES notation for (2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine?
The canonical SMILES for (2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine is CC(C)(C)N1CCCC[C@@H]1c1ccn[nH]1.CC(C)(C)N1CCCC[C@@H]1c1cn[nH]c1.CC(C)(C)N1CCCC[C@H]1c1ccn[nH]1.CC(C)(C)N1CCCC[C@H]1c1cn[nH]c1.CC(C)(C)N1CCC[C@H]1c1ccccc1.CC(C)(C)N1CC[C@@H](F)C[C@H]1c1ccccc1.CC(C)(C)N1CC[C@H](F)C[C@@H]1c1ccccc1.CC(C)(C)N1CC[C@H](F)C[C@H]1c1ccccc1.CC(C)N1CC[C@@H](F)C[C@@H]1c1ccccc1.C[C@@H]1CCCN(C(C)(C)C)C1c1ccccc1.C[C@@H]1CC[C@H](c2ccccc2)N(C(C)(C)C)C1.C[C@H]1CCCN(C(C)(C)C)[C@H]1c1ccccc1.C[C@H]1CC[C@@H](c2ccccc2)N(C(C)(C)C)C1.Cn1nccc1[C@@H]1CCCN1C(C)(C)C.Cn1nccc1[C@H]1CCCN1C(C)(C)C.
What is the InChIKey of (2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine?
The InChIKey is BDLNQERVQJFCNC-AYCLELNKSA-N. The full InChI is InChI=1S/4C16H25N.3C15H22FN.C14H20FN.C14H21N.6C12H21N3/c2*1-13-9-8-12-17(16(2,3)4)15(13)14-10-6-5-7-11-14;2*1-13-10-11-15(14-8-6-5-7-9-14)17(12-13)16(2,3)4;3*1-15(2,3)17-10-9-13(16)11-14(17)12-7-5-4-6-8-12;1-11(2)16-9-8-13(15)10-14(16)12-6-4-3-5-7-12;1-14(2,3)15-11-7-10-13(15)12-8-5-4-6-9-12;2*1-12(2,3)15-9-5-6-11(15)10-7-8-13-14(10)4;2*1-12(2,3)15-9-5-4-6-11(15)10-7-8-13-14-10;2*1-12(2,3)15-7-5-4-6-11(15)10-8-13-14-9-10/h2*5-7,10-11,13,15H,8-9,12H2,1-4H3;2*5-9,13,15H,10-12H2,1-4H3;3*4-8,13-14H,9-11H2,1-3H3;3-7,11,13-14H,8-10H2,1-2H3;4-6,8-9,13H,7,10-11H2,1-3H3;2*7-8,11H,5-6,9H2,1-4H3;2*7-8,11H,4-6,9H2,1-3H3,(H,13,14);2*8-9,11H,4-7H2,1-3H3,(H,13,14)/t13-,15?;13-,15+;2*13-,15-;2*13-,14+;2*13-,14-;13-;6*11-/m101010010101010/s1.
What are the key properties of (2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine?
(2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine has a molecular weight of 3300.14 g/mol, XLogP of 51.76, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 157314716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).