4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol

C28H34FNO2Si — CID 167463410

IUPAC4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol
SMILESCC(C)(C)[Si](OCC1CCN(c2ccc(O)cc2F)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34FNO2Si/c1-28(2,3)33(24-10-6-4-7-11-24,25-12-8-5-9-13-25)32-21-22-16-18-30(19-17-22)27-15-14-23(31)20-26(27)29/h4-15,20,22,31H,16-19,21H2,1-3H3
InChIKeyCMXPYKCOLHOHKD-UHFFFAOYSA-N
MW463.67 g/mol
LogP5.32
Rot. Bonds6

About 4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol

4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol (PubChem CID 167463410) has the molecular formula C28H34FNO2Si and a molecular weight of 463.67 g/mol. Its IUPAC name is 4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol
PubChem CID167463410
Molecular FormulaC28H34FNO2Si
Molecular Weight463.67 g/mol
Exact Mass463.23
IUPAC Name4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol
SMILESCC(C)(C)[Si](OCC1CCN(c2ccc(O)cc2F)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34FNO2Si/c1-28(2,3)33(24-10-6-4-7-11-24,25-12-8-5-9-13-25)32-21-22-16-18-30(19-17-22)27-15-14-23(31)20-26(27)29/h4-15,20,22,31H,16-19,21H2,1-3H3
InChIKeyCMXPYKCOLHOHKD-UHFFFAOYSA-N
XLogP5.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.67
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 155658327
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 90317821
methyl 4-bromo-2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypyrrolidin-1-yl]-6-fluorobenzoate
CID 178027689
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)piperidine-1-carboxylic acid
CID 155658340
tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane
CID 175898859

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol?
The IUPAC name of 4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol (CID 167463410) is 4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol.
What is the SMILES notation for 4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol?
The canonical SMILES for 4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol is CC(C)(C)[Si](OCC1CCN(c2ccc(O)cc2F)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol?
The InChIKey is CMXPYKCOLHOHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FNO2Si/c1-28(2,3)33(24-10-6-4-7-11-24,25-12-8-5-9-13-25)32-21-22-16-18-30(19-17-22)27-15-14-23(31)20-26(27)29/h4-15,20,22,31H,16-19,21H2,1-3H3.
What are the key properties of 4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol?
4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol has a molecular weight of 463.67 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-3-fluorophenol is sourced from PubChem (CID 167463410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).