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

C29H43NO3Si — CID 10457934

IUPAC(2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
SMILESCC(C)[Si](Oc1ccc(C(=O)[C@H](C)N2CCC(O)(c3ccccc3)CC2)cc1)(C(C)C)C(C)C
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/t24-/m0/s1
InChIKeyUNRHYKUJRVFZKJ-DEOSSOPVSA-N
MW481.75 g/mol
LogP6.80
Rot. Bonds9

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

(2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one (PubChem CID 10457934) has the molecular formula C29H43NO3Si and a molecular weight of 481.75 g/mol. Its IUPAC name is (2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
PubChem CID10457934
Molecular FormulaC29H43NO3Si
Molecular Weight481.75 g/mol
Exact Mass481.30
IUPAC Name(2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
SMILESCC(C)[Si](Oc1ccc(C(=O)[C@H](C)N2CCC(O)(c3ccccc3)CC2)cc1)(C(C)C)C(C)C
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/t24-/m0/s1
InChIKeyUNRHYKUJRVFZKJ-DEOSSOPVSA-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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Related Compounds

2-(4-phenylsulfanylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
CID 19707423
1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one
CID 21186611
2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one
CID 10413970
2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62931770
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
2-(4,4-dimethylazepan-1-yl)-1-phenylpropan-1-one
CID 65282863
1-phenyl-2-thiomorpholin-4-ylpropan-1-one
CID 60863276
2-(4,4-dimethylazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 65282810
2-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 63158465
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43227288
1-[1-[amino(methyl)amino]ethyl]-4-phenylpiperidin-4-ol
CID 57010939
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The IUPAC name of (2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one (CID 10457934) is (2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one.
What is the SMILES notation for (2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The canonical SMILES for (2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one is CC(C)[Si](Oc1ccc(C(=O)[C@H](C)N2CCC(O)(c3ccccc3)CC2)cc1)(C(C)C)C(C)C.
What is the InChIKey of (2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The InChIKey is UNRHYKUJRVFZKJ-DEOSSOPVSA-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/t24-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
(2S)-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 (2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one is sourced from PubChem (CID 10457934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).