sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide

C74H119F3N17NaO22S — CID 161183924

IUPACsodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide
SMILESCC(=O)C(F)(F)F.COC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CCN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CCN1.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CCN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CCN1CC1CCCCC1.O=CC1CCCCC1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C19H27NO7S.C14H24N4O2.C12H20N4O4.C12H21NO5.C7H12N4O2.C7H12O.C3H3F3O.N3.Na/c1-13-6-8-15(9-7-13)28(23,24)27-14-10-11-20(16(12-14)17(21)25-5)18(22)26-19(2,3)4;1-20-14(19)13-9-12(16-17-15)7-8-18(13)10-11-5-3-2-4-6-11;1-12(2,3)20-11(18)16-6-5-8(14-15-13)7-9(16)10(17)19-4;1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4;1-13-7(12)6-4-5(10-11-8)2-3-9-6;8-6-7-4-2-1-3-5-7;1-2(7)3(4,5)6;1-3-2;/h6-9,14,16H,10-12H2,1-5H3;11-13H,2-10H2,1H3;8-9H,5-7H2,1-4H3;8-9,14H,5-7H2,1-4H3;5-6,9H,2-4H2,1H3;6-7H,1-5H2;1H3;;/q;;;;;;;-1;+1/t14-,16-;12-,13+;8-,9+;8-,9-;5-,6+;;;;/m01101..../s1
InChIKeyAYVRYSZOXZGWKI-XZDBXEKBSA-N
MW1710.91 g/mol
LogP10.05
Rot. Bonds14

About sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide

sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide (PubChem CID 161183924) has the molecular formula C74H119F3N17NaO22S and a molecular weight of 1710.91 g/mol. Its IUPAC name is sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide.

Molecular Properties

Compound Namesodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide
PubChem CID161183924
Molecular FormulaC74H119F3N17NaO22S
Molecular Weight1710.91 g/mol
Exact Mass1709.83
IUPAC Namesodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide
SMILESCC(=O)C(F)(F)F.COC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CCN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CCN1.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CCN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CCN1CC1CCCCC1.O=CC1CCCCC1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C19H27NO7S.C14H24N4O2.C12H20N4O4.C12H21NO5.C7H12N4O2.C7H12O.C3H3F3O.N3.Na/c1-13-6-8-15(9-7-13)28(23,24)27-14-10-11-20(16(12-14)17(21)25-5)18(22)26-19(2,3)4;1-20-14(19)13-9-12(16-17-15)7-8-18(13)10-11-5-3-2-4-6-11;1-12(2,3)20-11(18)16-6-5-8(14-15-13)7-9(16)10(17)19-4;1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4;1-13-7(12)6-4-5(10-11-8)2-3-9-6;8-6-7-4-2-1-3-5-7;1-2(7)3(4,5)6;1-3-2;/h6-9,14,16H,10-12H2,1-5H3;11-13H,2-10H2,1H3;8-9H,5-7H2,1-4H3;8-9,14H,5-7H2,1-4H3;5-6,9H,2-4H2,1H3;6-7H,1-5H2;1H3;;/q;;;;;;;-1;+1/t14-,16-;12-,13+;8-,9+;8-,9-;5-,6+;;;;/m01101..../s1
InChIKeyAYVRYSZOXZGWKI-XZDBXEKBSA-N
XLogP10.05
TPSA538.11 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001710.91
LogP ≤ 510.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide with MolForge

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Launch Full Analysis

Related Compounds

1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-(4-methylphenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate
CID 162252898
1-O-tert-butyl 2-O-methyl (2S,4R)-4-(4-methylphenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate
CID 13425772
2-O-benzyl 1-O-tert-butyl (2R,4S)-4-azidopiperidine-1,2-dicarboxylate
CID 162366637
1-O-tert-butyl 2-O-methyl (2R)-4-(trifluoromethylsulfonyloxy)piperidine-1,2-dicarboxylate
CID 176761753
1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
CID 172878152
sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride
CID 158083624
1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate
CID 11219435
1-O-tert-butyl 2-O-methyl 4-azidopyrrolidine-1,2-dicarboxylate
CID 14772683
1-O-tert-butyl 2-O-methyl (2S)-4-azidopyrrolidine-1,2-dicarboxylate
CID 57298147
lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride
CID 167578700
1-O-tert-butyl 2-O-(4-methylphenyl)sulfonyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 141131112
dimethyl 4-(4-methylphenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate
CID 21132744

Frequently Asked Questions

What is the IUPAC name of sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide?
The IUPAC name of sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide (CID 161183924) is sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide.
What is the SMILES notation for sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide?
The canonical SMILES for sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide is CC(=O)C(F)(F)F.COC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CCN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CCN1.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CCN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CCN1CC1CCCCC1.O=CC1CCCCC1.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide?
The InChIKey is AYVRYSZOXZGWKI-XZDBXEKBSA-N. The full InChI is InChI=1S/C19H27NO7S.C14H24N4O2.C12H20N4O4.C12H21NO5.C7H12N4O2.C7H12O.C3H3F3O.N3.Na/c1-13-6-8-15(9-7-13)28(23,24)27-14-10-11-20(16(12-14)17(21)25-5)18(22)26-19(2,3)4;1-20-14(19)13-9-12(16-17-15)7-8-18(13)10-11-5-3-2-4-6-11;1-12(2,3)20-11(18)16-6-5-8(14-15-13)7-9(16)10(17)19-4;1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4;1-13-7(12)6-4-5(10-11-8)2-3-9-6;8-6-7-4-2-1-3-5-7;1-2(7)3(4,5)6;1-3-2;/h6-9,14,16H,10-12H2,1-5H3;11-13H,2-10H2,1H3;8-9H,5-7H2,1-4H3;8-9,14H,5-7H2,1-4H3;5-6,9H,2-4H2,1H3;6-7H,1-5H2;1H3;;/q;;;;;;;-1;+1/t14-,16-;12-,13+;8-,9+;8-,9-;5-,6+;;;;/m01101..../s1.
What are the key properties of sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide?
sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide has a molecular weight of 1710.91 g/mol, XLogP of 10.05, 14 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-O-tert-butyl 2-O-methyl (2S,4R)-4-azidopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methylphenyl)sulfonyloxypiperidine-1,2-dicarboxylate;cyclohexanecarbaldehyde;methyl (2S,4R)-4-azido-1-(cyclohexylmethyl)piperidine-2-carboxylate;methyl (2S,4R)-4-azidopiperidine-2-carboxylate;1,1,1-trifluoropropan-2-one;azide is sourced from PubChem (CID 161183924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).