1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol

C29H42Cl2FNO3Si — CID 70235990

IUPAC1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESCC(C(O)c1cc(Cl)c(O[Si](C(C)C)(C(C)C)C(C)C)c(Cl)c1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H42Cl2FNO3Si/c1-18(2)37(19(3)4,20(5)6)36-28-25(30)16-22(17-26(28)31)27(34)21(7)33-14-12-29(35,13-15-33)23-8-10-24(32)11-9-23/h8-11,16-21,27,34-35H,12-15H2,1-7H3
InChIKeyKLXUKLHNGRGHOO-UHFFFAOYSA-N
MW570.65 g/mol
LogP8.09
Rot. Bonds9

About 1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol

1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol (PubChem CID 70235990) has the molecular formula C29H42Cl2FNO3Si and a molecular weight of 570.65 g/mol. Its IUPAC name is 1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
PubChem CID70235990
Molecular FormulaC29H42Cl2FNO3Si
Molecular Weight570.65 g/mol
Exact Mass569.23
IUPAC Name1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESCC(C(O)c1cc(Cl)c(O[Si](C(C)C)(C(C)C)C(C)C)c(Cl)c1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H42Cl2FNO3Si/c1-18(2)37(19(3)4,20(5)6)36-28-25(30)16-22(17-26(28)31)27(34)21(7)33-14-12-29(35,13-15-33)23-8-10-24(32)11-9-23/h8-11,16-21,27,34-35H,12-15H2,1-7H3
InChIKeyKLXUKLHNGRGHOO-UHFFFAOYSA-N
XLogP8.09
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one
CID 21186611
4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
CID 57045332
1-[1-(3-fluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 73195170
1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 21186599
1-[(2R)-1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 67670710
1-[(1R,2R)-1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 54171505
1-[1-(3,5-difluoro-4-phenylmethoxyphenyl)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 70236000
4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol
CID 65077824
1-[3-(3,4-dichlorophenyl)-4-(ethylamino)butan-2-yl]-4-phenylpiperidin-4-ol;hydrochloride
CID 67824870
1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol
CID 72949866
(2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
CID 10457934
1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501484

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol (CID 70235990) is 1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol is CC(C(O)c1cc(Cl)c(O[Si](C(C)C)(C(C)C)C(C)C)c(Cl)c1)N1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The InChIKey is KLXUKLHNGRGHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42Cl2FNO3Si/c1-18(2)37(19(3)4,20(5)6)36-28-25(30)16-22(17-26(28)31)27(34)21(7)33-14-12-29(35,13-15-33)23-8-10-24(32)11-9-23/h8-11,16-21,27,34-35H,12-15H2,1-7H3.
What are the key properties of 1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol has a molecular weight of 570.65 g/mol, XLogP of 8.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 70235990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).