2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one

C29H43NO3Si — CID 10254642

IUPAC2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
SMILESCC(C(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C29H43NO3Si/c1-21(2)34(22(3)4,23(5)6)33-27-15-13-25(14-16-27)28(31)24(7)30-19-17-29(32,18-20-30)26-11-9-8-10-12-26/h8-16,21-24,32H,17-20H2,1-7H3
InChIKeyUNRHYKUJRVFZKJ-UHFFFAOYSA-N
MW481.75 g/mol
LogP6.80
Rot. Bonds9

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

2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one (PubChem CID 10254642) has the molecular formula C29H43NO3Si and a molecular weight of 481.75 g/mol. Its IUPAC name is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one.

Molecular Properties

Compound Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
PubChem CID10254642
Molecular FormulaC29H43NO3Si
Molecular Weight481.75 g/mol
Exact Mass481.30
IUPAC Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
SMILESCC(C(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C29H43NO3Si/c1-21(2)34(22(3)4,23(5)6)33-27-15-13-25(14-16-27)28(31)24(7)30-19-17-29(32,18-20-30)26-11-9-8-10-12-26/h8-16,21-24,32H,17-20H2,1-7H3
InChIKeyUNRHYKUJRVFZKJ-UHFFFAOYSA-N
XLogP6.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.75
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The IUPAC name of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one (CID 10254642) is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one.
What is the SMILES notation for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The canonical SMILES for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one is CC(C(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The InChIKey is UNRHYKUJRVFZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO3Si/c1-21(2)34(22(3)4,23(5)6)33-27-15-13-25(14-16-27)28(31)24(7)30-19-17-29(32,18-20-30)26-11-9-8-10-12-26/h8-16,21-24,32H,17-20H2,1-7H3.
What are the key properties of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one has a molecular weight of 481.75 g/mol, XLogP of 6.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one is sourced from PubChem (CID 10254642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).