tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate

C21H39NO3Si — CID 11394924

IUPACtert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate
SMILESCC=C=C(CO[Si](C)(C)C(C)(C)C)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H39NO3Si/c1-10-13-17(16-24-26(8,9)21(5,6)7)18-14-11-12-15-22(18)19(23)25-20(2,3)4/h10,18H,11-12,14-16H2,1-9H3
InChIKeyFYOGILXNSLGFMP-UHFFFAOYSA-N
MW381.63 g/mol
LogP5.90
Rot. Bonds4

About tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate

tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate (PubChem CID 11394924) has the molecular formula C21H39NO3Si and a molecular weight of 381.63 g/mol. Its IUPAC name is tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate
PubChem CID11394924
Molecular FormulaC21H39NO3Si
Molecular Weight381.63 g/mol
Exact Mass381.27
IUPAC Nametert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate
SMILESCC=C=C(CO[Si](C)(C)C(C)(C)C)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H39NO3Si/c1-10-13-17(16-24-26(8,9)21(5,6)7)18-14-11-12-15-22(18)19(23)25-20(2,3)4/h10,18H,11-12,14-16H2,1-9H3
InChIKeyFYOGILXNSLGFMP-UHFFFAOYSA-N
XLogP5.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.63
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]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

(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
tert-butyl (2R)-2-[(E)-but-2-enoyl]piperidine-1-carboxylate
CID 165462634
tert-butyl (2S)-2-(2-chloroacetyl)piperidine-1-carboxylate
CID 91971112
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084
tert-butyl 2-(2-formylpyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 18699591
2-O-[(E)-but-2-enyl] 1-O-tert-butyl (2S)-piperidine-1,2-dicarboxylate
CID 176691417
tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]pyrrolidine-1-carboxylate
CID 14808647
tert-butyl 2-but-1-en-2-ylpiperidine-1-carboxylate
CID 102537800
tert-butyl 2-(3-oxobutanoyl)piperidine-1-carboxylate
CID 82667344
tert-butyl (2S)-2-butanoylpiperidine-1-carboxylate
CID 165464367

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate (CID 11394924) is tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate is CC=C=C(CO[Si](C)(C)C(C)(C)C)C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate?
The InChIKey is FYOGILXNSLGFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO3Si/c1-10-13-17(16-24-26(8,9)21(5,6)7)18-14-11-12-15-22(18)19(23)25-20(2,3)4/h10,18H,11-12,14-16H2,1-9H3.
What are the key properties of tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate?
tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate has a molecular weight of 381.63 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dien-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 11394924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).