2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate

C11H22INO2Si — CID 22238408

IUPAC2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CCC(I)CC1
InChIInChI=1S/C11H22INO2Si/c1-16(2,3)9-8-15-11(14)13-6-4-10(12)5-7-13/h10H,4-9H2,1-3H3
InChIKeyVXUQHRVVJAPHLQ-UHFFFAOYSA-N
MW355.29 g/mol
LogP3.36
Rot. Bonds3

About 2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate

2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate (PubChem CID 22238408) has the molecular formula C11H22INO2Si and a molecular weight of 355.29 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate
PubChem CID22238408
Molecular FormulaC11H22INO2Si
Molecular Weight355.29 g/mol
Exact Mass355.05
IUPAC Name2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CCC(I)CC1
InChIInChI=1S/C11H22INO2Si/c1-16(2,3)9-8-15-11(14)13-6-4-10(12)5-7-13/h10H,4-9H2,1-3H3
InChIKeyVXUQHRVVJAPHLQ-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate
CID 91377049
prop-2-enyl 4-iodopiperidine-1-carboxylate
CID 130407658
2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate
CID 164554342
2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 66621710
2-trimethylsilylethyl 5-formyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 54392133
3-bromopropyl 4-methylpiperidine-1-carboxylate
CID 103970714
2-trimethylsilylethyl 4-[carbonochloridoyl-[(2,4-difluorophenyl)methyl]amino]piperidine-1-carboxylate
CID 151425927
propyl 4-sulfanylpiperidine-1-carboxylate
CID 142541970
tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate
CID 90791180
2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate
CID 169000229
2-methoxyethyl 4-ethylpiperidine-1-carboxylate
CID 70658235
2-trimethylsilylethyl 4-[2-(2-bromo-5-nitrophenoxy)ethyl]piperidine-1-carboxylate
CID 178001694

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate (CID 22238408) is 2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate is C[Si](C)(C)CCOC(=O)N1CCC(I)CC1.
What is the InChIKey of 2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate?
The InChIKey is VXUQHRVVJAPHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22INO2Si/c1-16(2,3)9-8-15-11(14)13-6-4-10(12)5-7-13/h10H,4-9H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate?
2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate has a molecular weight of 355.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate is sourced from PubChem (CID 22238408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).