1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one

C29H41F2NO3Si — CID 21186649

IUPAC1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)c1cc(F)c(O[Si](C(C)C)(C(C)C)C(C)C)c(F)c1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C29H41F2NO3Si/c1-19(2)36(20(3)4,21(5)6)35-28-25(30)17-23(18-26(28)31)27(33)22(7)32-15-13-29(34,14-16-32)24-11-9-8-10-12-24/h8-12,17-22,34H,13-16H2,1-7H3
InChIKeyIYNJHAVZQQWHQI-UHFFFAOYSA-N
MW517.73 g/mol
LogP7.07
Rot. Bonds9

About 1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one

1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one (PubChem CID 21186649) has the molecular formula C29H41F2NO3Si and a molecular weight of 517.73 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
PubChem CID21186649
Molecular FormulaC29H41F2NO3Si
Molecular Weight517.73 g/mol
Exact Mass517.28
IUPAC Name1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)c1cc(F)c(O[Si](C(C)C)(C(C)C)C(C)C)c(F)c1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C29H41F2NO3Si/c1-19(2)36(20(3)4,21(5)6)35-28-25(30)17-23(18-26(28)31)27(33)22(7)32-15-13-29(34,14-16-32)24-11-9-8-10-12-24/h8-12,17-22,34H,13-16H2,1-7H3
InChIKeyIYNJHAVZQQWHQI-UHFFFAOYSA-N
XLogP7.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.73
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one (CID 21186649) is 1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one is CC(C(=O)c1cc(F)c(O[Si](C(C)C)(C(C)C)C(C)C)c(F)c1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one?
The InChIKey is IYNJHAVZQQWHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41F2NO3Si/c1-19(2)36(20(3)4,21(5)6)35-28-25(30)17-23(18-26(28)31)27(33)22(7)32-15-13-29(34,14-16-32)24-11-9-8-10-12-24/h8-12,17-22,34H,13-16H2,1-7H3.
What are the key properties of 1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one?
1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one has a molecular weight of 517.73 g/mol, XLogP of 7.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 21186649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).