4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

C24H31ClFNO2Si — CID 626648

IUPAC4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESC[Si](C)(C)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31ClFNO2Si/c1-30(2,3)29-24(20-8-10-21(25)11-9-20)14-17-27(18-15-24)16-4-5-23(28)19-6-12-22(26)13-7-19/h6-13H,4-5,14-18H2,1-3H3
InChIKeyGANQAEPVTSXCFF-UHFFFAOYSA-N
MW448.05 g/mol
LogP6.28
Rot. Bonds8

About 4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one (PubChem CID 626648) has the molecular formula C24H31ClFNO2Si and a molecular weight of 448.05 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
PubChem CID626648
Molecular FormulaC24H31ClFNO2Si
Molecular Weight448.05 g/mol
Exact Mass447.18
IUPAC Name4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESC[Si](C)(C)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31ClFNO2Si/c1-30(2,3)29-24(20-8-10-21(25)11-9-20)14-17-27(18-15-24)16-4-5-23(28)19-6-12-22(26)13-7-19/h6-13H,4-5,14-18H2,1-3H3
InChIKeyGANQAEPVTSXCFF-UHFFFAOYSA-N
XLogP6.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.05
LogP ≤ 56.28
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 4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one (CID 626648) is 4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one is C[Si](C)(C)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is GANQAEPVTSXCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClFNO2Si/c1-30(2,3)29-24(20-8-10-21(25)11-9-20)14-17-27(18-15-24)16-4-5-23(28)19-6-12-22(26)13-7-19/h6-13H,4-5,14-18H2,1-3H3.
What are the key properties of 4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one has a molecular weight of 448.05 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 626648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).