[(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane

C25H32FNOSi — CID 22115866

IUPAC[(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane
SMILESC[Si](C)(C)O/C(=C\CCN1CCC(=Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H32FNOSi/c1-29(2,3)28-25(23-8-5-4-6-9-23)10-7-17-27-18-15-22(16-19-27)20-21-11-13-24(26)14-12-21/h4-6,8-14,20H,7,15-19H2,1-3H3/b25-10-
InChIKeyICSHZTYIJTYZQB-MRUKODCESA-N
MW409.62 g/mol
LogP6.59
Rot. Bonds7

About [(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane

[(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane (PubChem CID 22115866) has the molecular formula C25H32FNOSi and a molecular weight of 409.62 g/mol. Its IUPAC name is [(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane
PubChem CID22115866
Molecular FormulaC25H32FNOSi
Molecular Weight409.62 g/mol
Exact Mass409.22
IUPAC Name[(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane
SMILESC[Si](C)(C)O/C(=C\CCN1CCC(=Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H32FNOSi/c1-29(2,3)28-25(23-8-5-4-6-9-23)10-7-17-27-18-15-22(16-19-27)20-21-11-13-24(26)14-12-21/h4-6,8-14,20H,7,15-19H2,1-3H3/b25-10-
InChIKeyICSHZTYIJTYZQB-MRUKODCESA-N
XLogP6.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane?
The IUPAC name of [(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane (CID 22115866) is [(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane.
What is the SMILES notation for [(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane?
The canonical SMILES for [(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane is C[Si](C)(C)O/C(=C\CCN1CCC(=Cc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of [(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane?
The InChIKey is ICSHZTYIJTYZQB-MRUKODCESA-N. The full InChI is InChI=1S/C25H32FNOSi/c1-29(2,3)28-25(23-8-5-4-6-9-23)10-7-17-27-18-15-22(16-19-27)20-21-11-13-24(26)14-12-21/h4-6,8-14,20H,7,15-19H2,1-3H3/b25-10-.
What are the key properties of [(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane?
[(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane has a molecular weight of 409.62 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-1-phenylbut-1-enoxy]-trimethylsilane is sourced from PubChem (CID 22115866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).