2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one

C31H47NO3Si — CID 10413970

IUPAC2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one
SMILESCCC(C(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C31H47NO3Si/c1-8-29(32-20-18-31(34,19-21-32)22-26-12-10-9-11-13-26)30(33)27-14-16-28(17-15-27)35-36(23(2)3,24(4)5)25(6)7/h9-17,23-25,29,34H,8,18-22H2,1-7H3
InChIKeyUYHWMLHEPJEBMP-UHFFFAOYSA-N
MW509.81 g/mol
LogP7.27
Rot. Bonds11

About 2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one

2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one (PubChem CID 10413970) has the molecular formula C31H47NO3Si and a molecular weight of 509.81 g/mol. Its IUPAC name is 2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one.

Molecular Properties

Compound Name2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one
PubChem CID10413970
Molecular FormulaC31H47NO3Si
Molecular Weight509.81 g/mol
Exact Mass509.33
IUPAC Name2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one
SMILESCCC(C(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C31H47NO3Si/c1-8-29(32-20-18-31(34,19-21-32)22-26-12-10-9-11-13-26)30(33)27-14-16-28(17-15-27)35-36(23(2)3,24(4)5)25(6)7/h9-17,23-25,29,34H,8,18-22H2,1-7H3
InChIKeyUYHWMLHEPJEBMP-UHFFFAOYSA-N
XLogP7.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.81
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-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

Related Compounds

(2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
CID 10457934
2-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-[4-(hydroxymethyl)phenyl]butan-1-one
CID 70861920
4-(4-benzyl-4-hydroxypiperidin-1-yl)-2-chloro-4-fluoro-1-phenylbutan-1-one
CID 21324669
2-(4-phenylsulfanylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
CID 19707423
1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol
CID 134435119
1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 5024671
1-phenyl-2-(1,4-thiazepan-4-yl)butan-1-one
CID 62030314
3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione
CID 101121470
N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide
CID 106319174
1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one
CID 63567919
4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 60895688
4-benzyl-1-phenylpiperidin-4-ol
CID 106820760

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one?
The IUPAC name of 2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one (CID 10413970) is 2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one.
What is the SMILES notation for 2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one?
The canonical SMILES for 2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one is CCC(C(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one?
The InChIKey is UYHWMLHEPJEBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47NO3Si/c1-8-29(32-20-18-31(34,19-21-32)22-26-12-10-9-11-13-26)30(33)27-14-16-28(17-15-27)35-36(23(2)3,24(4)5)25(6)7/h9-17,23-25,29,34H,8,18-22H2,1-7H3.
What are the key properties of 2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one?
2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one has a molecular weight of 509.81 g/mol, XLogP of 7.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one is sourced from PubChem (CID 10413970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).