tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate

C18H29NO2Si — CID 162401375

IUPACtert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([Si](C)(C)c2ccccc2)CC1
InChIInChI=1S/C18H29NO2Si/c1-18(2,3)21-17(20)19-13-11-16(12-14-19)22(4,5)15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3
InChIKeyUGLOEEWDAJWWCT-UHFFFAOYSA-N
MW319.52 g/mol
LogP4.00
Rot. Bonds2

About tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate

tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate (PubChem CID 162401375) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate
PubChem CID162401375
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Nametert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([Si](C)(C)c2ccccc2)CC1
InChIInChI=1S/C18H29NO2Si/c1-18(2,3)21-17(20)19-13-11-16(12-14-19)22(4,5)15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3
InChIKeyUGLOEEWDAJWWCT-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate (CID 162401375) is tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([Si](C)(C)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate?
The InChIKey is UGLOEEWDAJWWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-18(2,3)21-17(20)19-13-11-16(12-14-19)22(4,5)15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3.
What are the key properties of tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate?
tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate has a molecular weight of 319.52 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate is sourced from PubChem (CID 162401375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).