1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C102H151F3N6O14Si4 — CID 161294346

IUPAC1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCc2cc(C(=O)O)ccc21.CC(C)(C)[Si](C)(C)O[C@H]1CCOc2cc(C=O)ccc21.CC(C)(C)[Si](C)(C)O[C@H]1CCOc2cc(CN3CCC(F)CC3)ccc21.COC(=O)c1ccc2c(c1)CCC[C@@H]2O[Si](C)(C)C(C)(C)C.O[C@H]1CCOc2cc(CN3CCC(F)CC3)ccc21.[N-]=[N+]=N[C@@H]1CCOc2cc(CN3CCC(F)CC3)ccc21
InChIInChI=1S/C21H34FNO2Si.C18H28O3Si.C17H26O3Si.C16H24O3Si.C15H19FN4O.C15H20FNO2/c1-21(2,3)26(4,5)25-19-10-13-24-20-14-16(6-7-18(19)20)15-23-11-8-17(22)9-12-23;1-18(2,3)22(5,6)21-16-9-7-8-13-12-14(17(19)20-4)10-11-15(13)16;1-17(2,3)21(4,5)20-15-8-6-7-12-11-13(16(18)19)9-10-14(12)15;1-16(2,3)20(4,5)19-14-8-9-18-15-10-12(11-17)6-7-13(14)15;16-12-3-6-20(7-4-12)10-11-1-2-13-14(18-19-17)5-8-21-15(13)9-11;16-12-3-6-17(7-4-12)10-11-1-2-13-14(18)5-8-19-15(13)9-11/h6-7,14,17,19H,8-13,15H2,1-5H3;10-12,16H,7-9H2,1-6H3;9-11,15H,6-8H2,1-5H3,(H,18,19);6-7,10-11,14H,8-9H2,1-5H3;1-2,9,12,14H,3-8,10H2;1-2,9,12,14,18H,3-8,10H2/t19-;16-;15-;3*14-/m000010/s1
InChIKeyVGTVSHSVUHQGFZ-MNUVIQAYSA-N
MW1854.70 g/mol
LogP25.66
Rot. Bonds18

About 1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 161294346) has the molecular formula C102H151F3N6O14Si4 and a molecular weight of 1854.70 g/mol. Its IUPAC name is 1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID161294346
Molecular FormulaC102H151F3N6O14Si4
Molecular Weight1854.70 g/mol
Exact Mass1853.03
IUPAC Name1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCc2cc(C(=O)O)ccc21.CC(C)(C)[Si](C)(C)O[C@H]1CCOc2cc(C=O)ccc21.CC(C)(C)[Si](C)(C)O[C@H]1CCOc2cc(CN3CCC(F)CC3)ccc21.COC(=O)c1ccc2c(c1)CCC[C@@H]2O[Si](C)(C)C(C)(C)C.O[C@H]1CCOc2cc(CN3CCC(F)CC3)ccc21.[N-]=[N+]=N[C@@H]1CCOc2cc(CN3CCC(F)CC3)ccc21
InChIInChI=1S/C21H34FNO2Si.C18H28O3Si.C17H26O3Si.C16H24O3Si.C15H19FN4O.C15H20FNO2/c1-21(2,3)26(4,5)25-19-10-13-24-20-14-16(6-7-18(19)20)15-23-11-8-17(22)9-12-23;1-18(2,3)22(5,6)21-16-9-7-8-13-12-14(17(19)20-4)10-11-15(13)16;1-17(2,3)21(4,5)20-15-8-6-7-12-11-13(16(18)19)9-10-14(12)15;1-16(2,3)20(4,5)19-14-8-9-18-15-10-12(11-17)6-7-13(14)15;16-12-3-6-20(7-4-12)10-11-1-2-13-14(18-19-17)5-8-21-15(13)9-11;16-12-3-6-17(7-4-12)10-11-1-2-13-14(18)5-8-19-15(13)9-11/h6-7,14,17,19H,8-13,15H2,1-5H3;10-12,16H,7-9H2,1-6H3;9-11,15H,6-8H2,1-5H3,(H,18,19);6-7,10-11,14H,8-9H2,1-5H3;1-2,9,12,14H,3-8,10H2;1-2,9,12,14,18H,3-8,10H2/t19-;16-;15-;3*14-/m000010/s1
InChIKeyVGTVSHSVUHQGFZ-MNUVIQAYSA-N
XLogP25.66
TPSA233.22 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.70
LogP ≤ 525.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
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methyl (2R)-3-[1-[(4R)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]-2-(methylamino)propanoate
CID 71081329
N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine
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methyl 4-(morpholin-4-ylmethyl)benzoate
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(4R)-7-ethyl-3,4-dihydro-2H-chromen-4-ol
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methyl 12-formyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxylate
CID 140757529
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetic acid
CID 79609676
(4S)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403844
(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium
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methyl 3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]benzoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of 1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 161294346) is 1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for 1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for 1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is CC(C)(C)[Si](C)(C)O[C@H]1CCCc2cc(C(=O)O)ccc21.CC(C)(C)[Si](C)(C)O[C@H]1CCOc2cc(C=O)ccc21.CC(C)(C)[Si](C)(C)O[C@H]1CCOc2cc(CN3CCC(F)CC3)ccc21.COC(=O)c1ccc2c(c1)CCC[C@@H]2O[Si](C)(C)C(C)(C)C.O[C@H]1CCOc2cc(CN3CCC(F)CC3)ccc21.[N-]=[N+]=N[C@@H]1CCOc2cc(CN3CCC(F)CC3)ccc21.
What is the InChIKey of 1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is VGTVSHSVUHQGFZ-MNUVIQAYSA-N. The full InChI is InChI=1S/C21H34FNO2Si.C18H28O3Si.C17H26O3Si.C16H24O3Si.C15H19FN4O.C15H20FNO2/c1-21(2,3)26(4,5)25-19-10-13-24-20-14-16(6-7-18(19)20)15-23-11-8-17(22)9-12-23;1-18(2,3)22(5,6)21-16-9-7-8-13-12-14(17(19)20-4)10-11-15(13)16;1-17(2,3)21(4,5)20-15-8-6-7-12-11-13(16(18)19)9-10-14(12)15;1-16(2,3)20(4,5)19-14-8-9-18-15-10-12(11-17)6-7-13(14)15;16-12-3-6-20(7-4-12)10-11-1-2-13-14(18-19-17)5-8-21-15(13)9-11;16-12-3-6-17(7-4-12)10-11-1-2-13-14(18)5-8-19-15(13)9-11/h6-7,14,17,19H,8-13,15H2,1-5H3;10-12,16H,7-9H2,1-6H3;9-11,15H,6-8H2,1-5H3,(H,18,19);6-7,10-11,14H,8-9H2,1-5H3;1-2,9,12,14H,3-8,10H2;1-2,9,12,14,18H,3-8,10H2/t19-;16-;15-;3*14-/m000010/s1.
What are the key properties of 1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 1854.70 g/mol, XLogP of 25.66, 18 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4R)-4-azido-3,4-dihydro-2H-chromen-7-yl]methyl]-4-fluoropiperidine;(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromene-7-carbaldehyde;(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;tert-butyl-[[(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane;(4S)-7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-ol;methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 161294346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).