benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate

C19H31NO3Si — CID 101381363

IUPACbenzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-17-11-13-20(14-12-17)18(21)22-15-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3
InChIKeyQYPQXDUBXUVIRX-UHFFFAOYSA-N
MW349.55 g/mol
LogP4.81
Rot. Bonds4

About benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate

benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate (PubChem CID 101381363) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
PubChem CID101381363
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Namebenzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-17-11-13-20(14-12-17)18(21)22-15-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3
InChIKeyQYPQXDUBXUVIRX-UHFFFAOYSA-N
XLogP4.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-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

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
The IUPAC name of benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate (CID 101381363) is benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate is CC(C)(C)[Si](C)(C)OC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
The InChIKey is QYPQXDUBXUVIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-17-11-13-20(14-12-17)18(21)22-15-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3.
What are the key properties of benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate has a molecular weight of 349.55 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 101381363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).