[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane

C28H34FNOSi — CID 16680157

IUPAC[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H]1C[C@@H](F)CN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34FNOSi/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-25-19-24(29)21-30(22-25)20-23-13-7-4-8-14-23/h4-18,24-25H,19-22H2,1-3H3/t24-,25-/m1/s1
InChIKeyNRNBCEYAHJBCPR-JWQCQUIFSA-N
MW447.67 g/mol
LogP5.18
Rot. Bonds6

About [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane

[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 16680157) has the molecular formula C28H34FNOSi and a molecular weight of 447.67 g/mol. Its IUPAC name is [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane
PubChem CID16680157
Molecular FormulaC28H34FNOSi
Molecular Weight447.67 g/mol
Exact Mass447.24
IUPAC Name[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H]1C[C@@H](F)CN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34FNOSi/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-25-19-24(29)21-30(22-25)20-23-13-7-4-8-14-23/h4-18,24-25H,19-22H2,1-3H3/t24-,25-/m1/s1
InChIKeyNRNBCEYAHJBCPR-JWQCQUIFSA-N
XLogP5.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.67
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane (CID 16680157) is [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](O[C@@H]1C[C@@H](F)CN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is NRNBCEYAHJBCPR-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H34FNOSi/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-25-19-24(29)21-30(22-25)20-23-13-7-4-8-14-23/h4-18,24-25H,19-22H2,1-3H3/t24-,25-/m1/s1.
What are the key properties of [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane?
[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 447.67 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 16680157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).