benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate

C19H30FNO3Si — CID 90151320

IUPACbenzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(=O)OCc2ccccc2)CC1F
InChIInChI=1S/C19H30FNO3Si/c1-19(2,3)25(4,5)24-17-11-12-21(13-16(17)20)18(22)23-14-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3
InChIKeyCJARVFOHCGRLJZ-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.76
Rot. Bonds4

About benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate

benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate (PubChem CID 90151320) has the molecular formula C19H30FNO3Si and a molecular weight of 367.54 g/mol. Its IUPAC name is benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
PubChem CID90151320
Molecular FormulaC19H30FNO3Si
Molecular Weight367.54 g/mol
Exact Mass367.20
IUPAC Namebenzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(=O)OCc2ccccc2)CC1F
InChIInChI=1S/C19H30FNO3Si/c1-19(2,3)25(4,5)24-17-11-12-21(13-16(17)20)18(22)23-14-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3
InChIKeyCJARVFOHCGRLJZ-UHFFFAOYSA-N
XLogP4.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate?
The IUPAC name of benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate (CID 90151320) is benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate is CC(C)(C)[Si](C)(C)OC1CCN(C(=O)OCc2ccccc2)CC1F.
What is the InChIKey of benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate?
The InChIKey is CJARVFOHCGRLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO3Si/c1-19(2,3)25(4,5)24-17-11-12-21(13-16(17)20)18(22)23-14-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3.
What are the key properties of benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate?
benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate has a molecular weight of 367.54 g/mol, XLogP of 4.76, 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]oxy-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 90151320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).