tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate

C18H35NO2Si — CID 142635325

IUPACtert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C/C=C/CC[Si](C)(C)C)CC1
InChIInChI=1S/C18H35NO2Si/c1-18(2,3)21-17(20)19-13-11-16(12-14-19)10-8-7-9-15-22(4,5)6/h7-8,16H,9-15H2,1-6H3/b8-7+
InChIKeyDLCANJXQMSASMZ-BQYQJAHWSA-N
MW325.57 g/mol
LogP5.31
Rot. Bonds5

About tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate

tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate (PubChem CID 142635325) has the molecular formula C18H35NO2Si and a molecular weight of 325.57 g/mol. Its IUPAC name is tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate
PubChem CID142635325
Molecular FormulaC18H35NO2Si
Molecular Weight325.57 g/mol
Exact Mass325.24
IUPAC Nametert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C/C=C/CC[Si](C)(C)C)CC1
InChIInChI=1S/C18H35NO2Si/c1-18(2,3)21-17(20)19-13-11-16(12-14-19)10-8-7-9-15-22(4,5)6/h7-8,16H,9-15H2,1-6H3/b8-7+
InChIKeyDLCANJXQMSASMZ-BQYQJAHWSA-N
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.57
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate
CID 123586095
tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
CID 66673725
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 76625784
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate
CID 97179772
tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 68715497
tert-butyl 4-(methylsulfanylmethyl)piperidine-1-carboxylate
CID 21087276

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate (CID 142635325) is tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C/C=C/CC[Si](C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate?
The InChIKey is DLCANJXQMSASMZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H35NO2Si/c1-18(2,3)21-17(20)19-13-11-16(12-14-19)10-8-7-9-15-22(4,5)6/h7-8,16H,9-15H2,1-6H3/b8-7+.
What are the key properties of tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate?
tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate has a molecular weight of 325.57 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 142635325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).