2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone

C23H31NO2Si — CID 175898326

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone
SMILESCC(C)(C)[Si](OCC(=O)N1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2Si/c1-23(2,3)27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)26-19-22(25)24-17-11-6-12-18-24/h4-5,7-10,13-16H,6,11-12,17-19H2,1-3H3
InChIKeyZTUGLNZDGDVKLJ-UHFFFAOYSA-N
MW381.59 g/mol
LogP3.58
Rot. Bonds5

About 2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone

2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone (PubChem CID 175898326) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone
PubChem CID175898326
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone
SMILESCC(C)(C)[Si](OCC(=O)N1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2Si/c1-23(2,3)27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)26-19-22(25)24-17-11-6-12-18-24/h4-5,7-10,13-16H,6,11-12,17-19H2,1-3H3
InChIKeyZTUGLNZDGDVKLJ-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone 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 2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone (CID 175898326) is 2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone is CC(C)(C)[Si](OCC(=O)N1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone?
The InChIKey is ZTUGLNZDGDVKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-23(2,3)27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)26-19-22(25)24-17-11-6-12-18-24/h4-5,7-10,13-16H,6,11-12,17-19H2,1-3H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone?
2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone has a molecular weight of 381.59 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 175898326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).