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

C18H30FNOSi — CID 135010175

IUPAC[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](F)CN(Cc2ccccc2)C1
InChIInChI=1S/C18H30FNOSi/c1-18(2,3)22(4,5)21-17-11-16(19)13-20(14-17)12-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3/t16-,17-/m1/s1
InChIKeyVYTIGQCPWPDVCE-IAGOWNOFSA-N
MW323.53 g/mol
LogP4.62
Rot. Bonds4

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

[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 135010175) has the molecular formula C18H30FNOSi and a molecular weight of 323.53 g/mol. Its IUPAC name is [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID135010175
Molecular FormulaC18H30FNOSi
Molecular Weight323.53 g/mol
Exact Mass323.21
IUPAC Name[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](F)CN(Cc2ccccc2)C1
InChIInChI=1S/C18H30FNOSi/c1-18(2,3)22(4,5)21-17-11-16(19)13-20(14-17)12-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3/t16-,17-/m1/s1
InChIKeyVYTIGQCPWPDVCE-IAGOWNOFSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.62
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-dimethylsilane?
The IUPAC name of [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane (CID 135010175) is [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](F)CN(Cc2ccccc2)C1.
What is the InChIKey of [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is VYTIGQCPWPDVCE-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H30FNOSi/c1-18(2,3)22(4,5)21-17-11-16(19)13-20(14-17)12-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3/t16-,17-/m1/s1.
What are the key properties of [(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane?
[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 323.53 g/mol, XLogP of 4.62, 4 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-dimethylsilane is sourced from PubChem (CID 135010175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).