4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile

C26H33IN2O2Si — CID 156730549

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile
SMILESCC(C)(C)[Si](OC1COCC1(C#N)N1CCC(I)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33IN2O2Si/c1-25(2,3)32(22-10-6-4-7-11-22,23-12-8-5-9-13-23)31-24-18-30-20-26(24,19-28)29-16-14-21(27)15-17-29/h4-13,21,24H,14-18,20H2,1-3H3
InChIKeyZEEJWWYDCFTYTD-UHFFFAOYSA-N
MW560.55 g/mol
LogP4.12
Rot. Bonds5

About 4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile

4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile (PubChem CID 156730549) has the molecular formula C26H33IN2O2Si and a molecular weight of 560.55 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile
PubChem CID156730549
Molecular FormulaC26H33IN2O2Si
Molecular Weight560.55 g/mol
Exact Mass560.14
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile
SMILESCC(C)(C)[Si](OC1COCC1(C#N)N1CCC(I)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33IN2O2Si/c1-25(2,3)32(22-10-6-4-7-11-22,23-12-8-5-9-13-23)31-24-18-30-20-26(24,19-28)29-16-14-21(27)15-17-29/h4-13,21,24H,14-18,20H2,1-3H3
InChIKeyZEEJWWYDCFTYTD-UHFFFAOYSA-N
XLogP4.12
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.55
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile 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 4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile (CID 156730549) is 4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile is CC(C)(C)[Si](OC1COCC1(C#N)N1CCC(I)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile?
The InChIKey is ZEEJWWYDCFTYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33IN2O2Si/c1-25(2,3)32(22-10-6-4-7-11-22,23-12-8-5-9-13-23)31-24-18-30-20-26(24,19-28)29-16-14-21(27)15-17-29/h4-13,21,24H,14-18,20H2,1-3H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile?
4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile has a molecular weight of 560.55 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile is sourced from PubChem (CID 156730549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).