[(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium

C137H145ClCrF11N13O20+4 — CID 157357023

IUPAC[(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium
SMILESCC(=O)c1c(C)cccc1F.CCOC(=O)[C@H]1CCCN([N+](=O)c2c(C)cccc2F)[C@H]1c1ccccc1.CCOC(=O)[C@H]1CCCN[C@H]1c1ccccc1.CCOC(=O)c1cccnc1-c1ccccc1.CCOC(=O)c1cccnc1Cl.Cc1cccc(F)c1[N+](=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1.Cc1cccc(F)c1[N+](=O)N1CCC[C@H](C(=O)O)C1c1ccccc1.Cc1cccc(F)c1[N+](=O)N1CCC[C@H](CO)[C@@H]1c1ccccc1.Nc1cccc(C(F)(F)F)c1.O=[Cr](=O)=O
InChIInChI=1S/C26H23F4N3O2.C21H24FN2O3.C19H19FN2O3.C19H22FN2O2.C14H19NO2.C14H13NO2.C9H9FO.C8H8ClNO2.C7H6F3N.Cr.3O/c1-17-8-5-14-22(27)23(17)33(35)32-15-7-13-21(24(32)18-9-3-2-4-10-18)25(34)31-20-12-6-11-19(16-20)26(28,29)30;1-3-27-21(25)17-12-8-14-23(20(17)16-10-5-4-6-11-16)24(26)19-15(2)9-7-13-18(19)22;1-13-7-5-11-16(20)17(13)22(25)21-12-6-10-15(19(23)24)18(21)14-8-3-2-4-9-14;1-14-7-5-11-17(20)18(14)22(24)21-12-6-10-16(13-23)19(21)15-8-3-2-4-9-15;2*1-2-17-14(16)12-9-6-10-15-13(12)11-7-4-3-5-8-11;1-6-4-3-5-8(10)9(6)7(2)11;1-2-12-8(11)6-4-3-5-10-7(6)9;8-7(9,10)5-2-1-3-6(11)4-5;;;;/h2-6,8-12,14,16,21,24H,7,13,15H2,1H3;4-7,9-11,13,17,20H,3,8,12,14H2,1-2H3;2-5,7-9,11,15,18H,6,10,12H2,1H3;2-5,7-9,11,16,19,23H,6,10,12-13H2,1H3;3-5,7-8,12-13,15H,2,6,9-10H2,1H3;3-10H,2H2,1H3;3-5H,1-2H3;3-5H,2H2,1H3;1-4H,11H2;;;;/q;+1;;+1;;;;;;;;;/p+2/t21-,24-;17-,20-;15-,18?;16-,19+;12-,13-;;;;;;;;/m00010......../s1
InChIKeyKNWZNTJMEBJNKO-BZZYIAMFSA-P
MW2590.16 g/mol
LogP30.34
Rot. Bonds27

About [(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium

[(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium (PubChem CID 157357023) has the molecular formula C137H145ClCrF11N13O20+4 and a molecular weight of 2590.16 g/mol. Its IUPAC name is [(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium.

Molecular Properties

Compound Name[(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium
PubChem CID157357023
Molecular FormulaC137H145ClCrF11N13O20+4
Molecular Weight2590.16 g/mol
Exact Mass2587.96
IUPAC Name[(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium
SMILESCC(=O)c1c(C)cccc1F.CCOC(=O)[C@H]1CCCN([N+](=O)c2c(C)cccc2F)[C@H]1c1ccccc1.CCOC(=O)[C@H]1CCCN[C@H]1c1ccccc1.CCOC(=O)c1cccnc1-c1ccccc1.CCOC(=O)c1cccnc1Cl.Cc1cccc(F)c1[N+](=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1.Cc1cccc(F)c1[N+](=O)N1CCC[C@H](C(=O)O)C1c1ccccc1.Cc1cccc(F)c1[N+](=O)N1CCC[C@H](CO)[C@@H]1c1ccccc1.Nc1cccc(C(F)(F)F)c1.O=[Cr](=O)=O
InChIInChI=1S/C26H23F4N3O2.C21H24FN2O3.C19H19FN2O3.C19H22FN2O2.C14H19NO2.C14H13NO2.C9H9FO.C8H8ClNO2.C7H6F3N.Cr.3O/c1-17-8-5-14-22(27)23(17)33(35)32-15-7-13-21(24(32)18-9-3-2-4-10-18)25(34)31-20-12-6-11-19(16-20)26(28,29)30;1-3-27-21(25)17-12-8-14-23(20(17)16-10-5-4-6-11-16)24(26)19-15(2)9-7-13-18(19)22;1-13-7-5-11-16(20)17(13)22(25)21-12-6-10-15(19(23)24)18(21)14-8-3-2-4-9-14;1-14-7-5-11-17(20)18(14)22(24)21-12-6-10-16(13-23)19(21)15-8-3-2-4-9-15;2*1-2-17-14(16)12-9-6-10-15-13(12)11-7-4-3-5-8-11;1-6-4-3-5-8(10)9(6)7(2)11;1-2-12-8(11)6-4-3-5-10-7(6)9;8-7(9,10)5-2-1-3-6(11)4-5;;;;/h2-6,8-12,14,16,21,24H,7,13,15H2,1H3;4-7,9-11,13,17,20H,3,8,12,14H2,1-2H3;2-5,7-9,11,15,18H,6,10,12H2,1H3;2-5,7-9,11,16,19,23H,6,10,12-13H2,1H3;3-5,7-8,12-13,15H,2,6,9-10H2,1H3;3-10H,2H2,1H3;3-5H,1-2H3;3-5H,2H2,1H3;1-4H,11H2;;;;/q;+1;;+1;;;;;;;;;/p+2/t21-,24-;17-,20-;15-,18?;16-,19+;12-,13-;;;;;;;;/m00010......../s1
InChIKeyKNWZNTJMEBJNKO-BZZYIAMFSA-P
XLogP30.34
TPSA417.22 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002590.16
LogP ≤ 530.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium with MolForge

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Related Compounds

ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;3-(trifluoromethyl)aniline
CID 157240033
ethane;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;propane;3-(trifluoromethyl)aniline
CID 157471461
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(2,2,2-trifluoroethylamino)methyl]pyridine-3-carboxamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 160033510
ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline
CID 160150818
CID 160238780
CID 160238780
ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium
CID 162155095
tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-5-(trifluoromethyl)piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-5-(trifluoromethyl)piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-5-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate;2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline
CID 163749227
tert-butyl N-(2,6-difluorophenyl)carbamate;2-chloropyridine-3-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 6-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 2-chloropyridine-3-carboxylate;ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate;methane;methyl 2-(2,4-difluorophenyl)-1-oxidopyridin-1-ium-3-carboxylate
CID 161468917

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium?
The IUPAC name of [(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium (CID 157357023) is [(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium.
What is the SMILES notation for [(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium?
The canonical SMILES for [(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium is CC(=O)c1c(C)cccc1F.CCOC(=O)[C@H]1CCCN([N+](=O)c2c(C)cccc2F)[C@H]1c1ccccc1.CCOC(=O)[C@H]1CCCN[C@H]1c1ccccc1.CCOC(=O)c1cccnc1-c1ccccc1.CCOC(=O)c1cccnc1Cl.Cc1cccc(F)c1[N+](=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1.Cc1cccc(F)c1[N+](=O)N1CCC[C@H](C(=O)O)C1c1ccccc1.Cc1cccc(F)c1[N+](=O)N1CCC[C@H](CO)[C@@H]1c1ccccc1.Nc1cccc(C(F)(F)F)c1.O=[Cr](=O)=O.
What is the InChIKey of [(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium?
The InChIKey is KNWZNTJMEBJNKO-BZZYIAMFSA-P. The full InChI is InChI=1S/C26H23F4N3O2.C21H24FN2O3.C19H19FN2O3.C19H22FN2O2.C14H19NO2.C14H13NO2.C9H9FO.C8H8ClNO2.C7H6F3N.Cr.3O/c1-17-8-5-14-22(27)23(17)33(35)32-15-7-13-21(24(32)18-9-3-2-4-10-18)25(34)31-20-12-6-11-19(16-20)26(28,29)30;1-3-27-21(25)17-12-8-14-23(20(17)16-10-5-4-6-11-16)24(26)19-15(2)9-7-13-18(19)22;1-13-7-5-11-16(20)17(13)22(25)21-12-6-10-15(19(23)24)18(21)14-8-3-2-4-9-14;1-14-7-5-11-17(20)18(14)22(24)21-12-6-10-16(13-23)19(21)15-8-3-2-4-9-15;2*1-2-17-14(16)12-9-6-10-15-13(12)11-7-4-3-5-8-11;1-6-4-3-5-8(10)9(6)7(2)11;1-2-12-8(11)6-4-3-5-10-7(6)9;8-7(9,10)5-2-1-3-6(11)4-5;;;;/h2-6,8-12,14,16,21,24H,7,13,15H2,1H3;4-7,9-11,13,17,20H,3,8,12,14H2,1-2H3;2-5,7-9,11,15,18H,6,10,12H2,1H3;2-5,7-9,11,16,19,23H,6,10,12-13H2,1H3;3-5,7-8,12-13,15H,2,6,9-10H2,1H3;3-10H,2H2,1H3;3-5H,1-2H3;3-5H,2H2,1H3;1-4H,11H2;;;;/q;+1;;+1;;;;;;;;;/p+2/t21-,24-;17-,20-;15-,18?;16-,19+;12-,13-;;;;;;;;/m00010......../s1.
What are the key properties of [(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium?
[(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium has a molecular weight of 2590.16 g/mol, XLogP of 30.34, 27 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-carboxy-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;[(2R,3S)-3-ethoxycarbonyl-2-phenylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)-oxoazanium;ethyl 2-chloropyridine-3-carboxylate;ethyl (2R,3S)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R,3S)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]-oxoazanium;(2-fluoro-6-methylphenyl)-oxo-[(2R,3S)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]azanium;3-(trifluoromethyl)aniline;trioxochromium is sourced from PubChem (CID 157357023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).