tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde

C21H39CoNO9Si — CID 173291389

IUPACtert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde
SMILESC=O.C=O.C=O.C=O.C=O.C=O.CC(C)(C)OC(=O)N1CCC(O)(C#C[Si](C)(C)C)CC1.[Co]
InChIInChI=1S/C15H27NO3Si.6CH2O.Co/c1-14(2,3)19-13(17)16-10-7-15(18,8-11-16)9-12-20(4,5)6;6*1-2;/h18H,7-8,10-11H2,1-6H3;6*1H2;
InChIKeyMMGMYVWPTACKGB-UHFFFAOYSA-N
MW536.56 g/mol
LogP1.52
Rot. Bonds

About tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde

tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde (PubChem CID 173291389) has the molecular formula C21H39CoNO9Si and a molecular weight of 536.56 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde
PubChem CID173291389
Molecular FormulaC21H39CoNO9Si
Molecular Weight536.56 g/mol
Exact Mass536.17
IUPAC Nametert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde
SMILESC=O.C=O.C=O.C=O.C=O.C=O.CC(C)(C)OC(=O)N1CCC(O)(C#C[Si](C)(C)C)CC1.[Co]
InChIInChI=1S/C15H27NO3Si.6CH2O.Co/c1-14(2,3)19-13(17)16-10-7-15(18,8-11-16)9-12-20(4,5)6;6*1-2;/h18H,7-8,10-11H2,1-6H3;6*1H2;
InChIKeyMMGMYVWPTACKGB-UHFFFAOYSA-N
XLogP1.52
TPSA152.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.56
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(3,3-dimethylbut-1-ynyl)-4-hydroxypiperidine-1-carboxylate;4-(3,3-dimethylbut-1-ynyl)piperidin-4-ol
CID 170609123
tert-butyl 4-hydroxy-4-[3-(4-methylphenyl)-3-oxoprop-1-ynyl]piperidine-1-carboxylate
CID 145464518
tert-butyl 4-(2-bromoanilino)-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate
CID 11070414
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365
tert-butyl 4-[2-(4-hydroxypiperidin-4-yl)ethynyl]piperidine-1-carboxylate
CID 170903383
tert-butyl 4-hydroxy-4-[3-(6-methoxy-3-pyridinyl)-3-oxoprop-1-ynyl]piperidine-1-carboxylate
CID 145464421
tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate
CID 118447523
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde?
The IUPAC name of tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde (CID 173291389) is tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde?
The canonical SMILES for tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde is C=O.C=O.C=O.C=O.C=O.C=O.CC(C)(C)OC(=O)N1CCC(O)(C#C[Si](C)(C)C)CC1.[Co].
What is the InChIKey of tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde?
The InChIKey is MMGMYVWPTACKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3Si.6CH2O.Co/c1-14(2,3)19-13(17)16-10-7-15(18,8-11-16)9-12-20(4,5)6;6*1-2;/h18H,7-8,10-11H2,1-6H3;6*1H2;.
What are the key properties of tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde?
tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde has a molecular weight of 536.56 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-(2-trimethylsilylethynyl)piperidine-1-carboxylate;cobalt;formaldehyde is sourced from PubChem (CID 173291389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).