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

C29H40ClF2NO3Si — CID 21186595

IUPAC2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]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)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C29H40ClF2NO3Si/c1-18(2)37(19(3)4,20(5)6)36-28-25(31)16-22(17-26(28)32)27(34)21(7)33-14-12-29(35,13-15-33)23-8-10-24(30)11-9-23/h8-11,16-21,35H,12-15H2,1-7H3
InChIKeyRIFGEABHSREWBK-UHFFFAOYSA-N
MW552.18 g/mol
LogP7.73
Rot. Bonds9

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

2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one (PubChem CID 21186595) has the molecular formula C29H40ClF2NO3Si and a molecular weight of 552.18 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
PubChem CID21186595
Molecular FormulaC29H40ClF2NO3Si
Molecular Weight552.18 g/mol
Exact Mass551.24
IUPAC Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]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)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C29H40ClF2NO3Si/c1-18(2)37(19(3)4,20(5)6)36-28-25(31)16-22(17-26(28)32)27(34)21(7)33-14-12-29(35,13-15-33)23-8-10-24(30)11-9-23/h8-11,16-21,35H,12-15H2,1-7H3
InChIKeyRIFGEABHSREWBK-UHFFFAOYSA-N
XLogP7.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.18
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]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 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one (CID 21186595) is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]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)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The InChIKey is RIFGEABHSREWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40ClF2NO3Si/c1-18(2)37(19(3)4,20(5)6)36-28-25(31)16-22(17-26(28)32)27(34)21(7)33-14-12-29(35,13-15-33)23-8-10-24(30)11-9-23/h8-11,16-21,35H,12-15H2,1-7H3.
What are the key properties of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one has a molecular weight of 552.18 g/mol, XLogP of 7.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one is sourced from PubChem (CID 21186595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).