tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate

C17H31NO2Si — CID 11130679

IUPACtert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCC#C[Si](C)(C)C
InChIInChI=1S/C17H31NO2Si/c1-17(2,3)20-16(19)18-13-9-7-11-15(18)12-8-10-14-21(4,5)6/h15H,7-9,11-13H2,1-6H3
InChIKeyKXHJBRGDDVIUEV-UHFFFAOYSA-N
MW309.53 g/mol
LogP4.44
Rot. Bonds2

About tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate

tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate (PubChem CID 11130679) has the molecular formula C17H31NO2Si and a molecular weight of 309.53 g/mol. Its IUPAC name is tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate
PubChem CID11130679
Molecular FormulaC17H31NO2Si
Molecular Weight309.53 g/mol
Exact Mass309.21
IUPAC Nametert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCC#C[Si](C)(C)C
InChIInChI=1S/C17H31NO2Si/c1-17(2,3)20-16(19)18-13-9-7-11-15(18)12-8-10-14-21(4,5)6/h15H,7-9,11-13H2,1-6H3
InChIKeyKXHJBRGDDVIUEV-UHFFFAOYSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2R)-2-(3-aminopropyl)piperidine-1-carboxylate
CID 34178148
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate
CID 59650712
tert-butyl (2S)-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 86313536
tert-butyl 2-(3-hydroxypent-4-ynyl)pyrrolidine-1-carboxylate
CID 19597685
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate (CID 11130679) is tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CCC#C[Si](C)(C)C.
What is the InChIKey of tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate?
The InChIKey is KXHJBRGDDVIUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2Si/c1-17(2,3)20-16(19)18-13-9-7-11-15(18)12-8-10-14-21(4,5)6/h15H,7-9,11-13H2,1-6H3.
What are the key properties of tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate?
tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate has a molecular weight of 309.53 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate is sourced from PubChem (CID 11130679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).