benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate

C29H41NO2Si — CID 134962211

IUPACbenzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate
SMILESCCC/C(=C(/CCC)[Si](C)(C)c1ccccc1)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C29H41NO2Si/c1-5-13-27(28(14-6-2)33(3,4)26-17-11-8-12-18-26)25-19-21-30(22-20-25)29(31)32-23-24-15-9-7-10-16-24/h7-12,15-18,25H,5-6,13-14,19-23H2,1-4H3/b28-27+
InChIKeyFMQVHQZVLHOHCS-BYYHNAKLSA-N
MW463.74 g/mol
LogP7.09
Rot. Bonds9

About benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate

benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate (PubChem CID 134962211) has the molecular formula C29H41NO2Si and a molecular weight of 463.74 g/mol. Its IUPAC name is benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate
PubChem CID134962211
Molecular FormulaC29H41NO2Si
Molecular Weight463.74 g/mol
Exact Mass463.29
IUPAC Namebenzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate
SMILESCCC/C(=C(/CCC)[Si](C)(C)c1ccccc1)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C29H41NO2Si/c1-5-13-27(28(14-6-2)33(3,4)26-17-11-8-12-18-26)25-19-21-30(22-20-25)29(31)32-23-24-15-9-7-10-16-24/h7-12,15-18,25H,5-6,13-14,19-23H2,1-4H3/b28-27+
InChIKeyFMQVHQZVLHOHCS-BYYHNAKLSA-N
XLogP7.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.74
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-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-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate (CID 134962211) is benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate is CCC/C(=C(/CCC)[Si](C)(C)c1ccccc1)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate?
The InChIKey is FMQVHQZVLHOHCS-BYYHNAKLSA-N. The full InChI is InChI=1S/C29H41NO2Si/c1-5-13-27(28(14-6-2)33(3,4)26-17-11-8-12-18-26)25-19-21-30(22-20-25)29(31)32-23-24-15-9-7-10-16-24/h7-12,15-18,25H,5-6,13-14,19-23H2,1-4H3/b28-27+.
What are the key properties of benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate?
benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate has a molecular weight of 463.74 g/mol, XLogP of 7.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 134962211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).